4-[2-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[2-[3-[9-[4-[3-[4-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile

C316H190N32 — CID 159923902

IUPAC4-[2-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[2-[3-[9-[4-[3-[4-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6cc(-c7ccccc7)cc(-c7ccc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10nc(-c%11ccccc%11)cc(-c%11ccc(C#N)cc%11)n%10)ccc98)cc7)c6)cc5)ccc43)n2)cc1.N#Cc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cc(-c7ccccc7)cc(-c7cccc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10nc(-c%11ccccc%11)cc(-c%11ccc(C#N)cc%11)n%10)ccc98)c7)c6)c5)ccc43)n2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cc(-c7ccccc7)cc(-c7cccc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10nc(-c%11ccccc%11)nc(-c%11ccc(C#N)cc%11)n%10)ccc98)c7)c6)c5)ccc43)n2)cc1
InChIInChI=1S/2C106H64N10.C104H62N12/c107-65-67-38-42-72(43-39-67)95-63-93(70-22-6-2-7-23-70)109-105(111-95)115-99-36-16-12-32-87(99)91-61-78(48-52-103(91)115)76-46-50-101-89(59-76)85-30-10-14-34-97(85)113(101)83-28-18-26-74(57-83)81-54-80(69-20-4-1-5-21-69)55-82(56-81)75-27-19-29-84(58-75)114-98-35-15-11-31-86(98)90-60-77(47-51-102(90)114)79-49-53-104-92(62-79)88-33-13-17-37-100(88)116(104)106-110-94(71-24-8-3-9-25-71)64-96(112-106)73-44-40-68(66-108)41-45-73;107-65-67-32-36-74(37-33-67)95-63-93(72-20-6-2-7-21-72)109-105(111-95)115-99-30-16-12-26-87(99)91-61-78(46-54-103(91)115)76-44-52-101-89(59-76)85-24-10-14-28-97(85)113(101)83-48-40-70(41-49-83)81-56-80(69-18-4-1-5-19-69)57-82(58-81)71-42-50-84(51-43-71)114-98-29-15-11-25-86(98)90-60-77(45-53-102(90)114)79-47-55-104-92(62-79)88-27-13-17-31-100(88)116(104)106-110-94(73-22-8-3-9-23-73)64-96(112-106)75-38-34-68(66-108)35-39-75;105-63-65-38-42-70(43-39-65)101-107-99(68-22-6-2-7-23-68)109-103(111-101)115-93-36-16-12-32-85(93)89-61-76(48-52-97(89)115)74-46-50-95-87(59-74)83-30-10-14-34-91(83)113(95)81-28-18-26-72(57-81)79-54-78(67-20-4-1-5-21-67)55-80(56-79)73-27-19-29-82(58-73)114-92-35-15-11-31-84(92)88-60-75(47-51-96(88)114)77-49-53-98-90(62-77)86-33-13-17-37-94(86)116(98)104-110-100(69-24-8-3-9-25-69)108-102(112-104)71-44-40-66(64-106)41-45-71/h2*1-64H;1-62H
InChIKeyNYTMUFOEGJCPLV-UHFFFAOYSA-N
MW4435.22 g/mol
LogP77.99
Rot. Bonds39

About 4-[2-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[2-[3-[9-[4-[3-[4-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile

4-[2-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[2-[3-[9-[4-[3-[4-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile (PubChem CID 159923902) has the molecular formula C316H190N32 and a molecular weight of 4435.22 g/mol. Its IUPAC name is 4-[2-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[2-[3-[9-[4-[3-[4-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[2-[3-[9-[4-[3-[4-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
PubChem CID159923902
Molecular FormulaC316H190N32
Molecular Weight4435.22 g/mol
Exact Mass4431.59
IUPAC Name4-[2-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[2-[3-[9-[4-[3-[4-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6cc(-c7ccccc7)cc(-c7ccc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10nc(-c%11ccccc%11)cc(-c%11ccc(C#N)cc%11)n%10)ccc98)cc7)c6)cc5)ccc43)n2)cc1.N#Cc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cc(-c7ccccc7)cc(-c7cccc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10nc(-c%11ccccc%11)cc(-c%11ccc(C#N)cc%11)n%10)ccc98)c7)c6)c5)ccc43)n2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cc(-c7ccccc7)cc(-c7cccc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10nc(-c%11ccccc%11)nc(-c%11ccc(C#N)cc%11)n%10)ccc98)c7)c6)c5)ccc43)n2)cc1
InChIInChI=1S/2C106H64N10.C104H62N12/c107-65-67-38-42-72(43-39-67)95-63-93(70-22-6-2-7-23-70)109-105(111-95)115-99-36-16-12-32-87(99)91-61-78(48-52-103(91)115)76-46-50-101-89(59-76)85-30-10-14-34-97(85)113(101)83-28-18-26-74(57-83)81-54-80(69-20-4-1-5-21-69)55-82(56-81)75-27-19-29-84(58-75)114-98-35-15-11-31-86(98)90-60-77(47-51-102(90)114)79-49-53-104-92(62-79)88-33-13-17-37-100(88)116(104)106-110-94(71-24-8-3-9-25-71)64-96(112-106)73-44-40-68(66-108)41-45-73;107-65-67-32-36-74(37-33-67)95-63-93(72-20-6-2-7-21-72)109-105(111-95)115-99-30-16-12-26-87(99)91-61-78(46-54-103(91)115)76-44-52-101-89(59-76)85-24-10-14-28-97(85)113(101)83-48-40-70(41-49-83)81-56-80(69-18-4-1-5-19-69)57-82(58-81)71-42-50-84(51-43-71)114-98-29-15-11-25-86(98)90-60-77(45-53-102(90)114)79-47-55-104-92(62-79)88-27-13-17-31-100(88)116(104)106-110-94(73-22-8-3-9-23-73)64-96(112-106)75-38-34-68(66-108)35-39-75;105-63-65-38-42-70(43-39-65)101-107-99(68-22-6-2-7-23-68)109-103(111-101)115-93-36-16-12-32-85(93)89-61-76(48-52-97(89)115)74-46-50-95-87(59-74)83-30-10-14-34-91(83)113(95)81-28-18-26-72(57-81)79-54-78(67-20-4-1-5-21-67)55-80(56-79)73-27-19-29-82(58-73)114-92-35-15-11-31-84(92)88-60-75(47-51-96(88)114)77-49-53-98-90(62-77)86-33-13-17-37-94(86)116(98)104-110-100(69-24-8-3-9-25-69)108-102(112-104)71-44-40-66(64-106)41-45-71/h2*1-64H;1-62H
InChIKeyNYTMUFOEGJCPLV-UHFFFAOYSA-N
XLogP77.99
TPSA382.36 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds39
Heavy Atoms348
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004435.22
LogP ≤ 577.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 4-[2-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[2-[3-[9-[4-[3-[4-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile with MolForge

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Related Compounds

4-[2-[3-[9-[4-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 118259418
4-[2-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]benzonitrile
CID 118259269
3-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 158018815
3-[9-[3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 157196382
3-(3-carbazol-9-ylphenyl)-6-(4,6-diphenyl-2-pyridinyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 144573714
3-[9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-[4-[3-[4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 155257157
4-[4,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]benzonitrile
CID 118259280
3-[4-[2,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]benzonitrile;3-[4-[4,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;3-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]benzonitrile
CID 159742587
3-[2-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 90088595
4-[6-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-(4-cyanophenyl)pyrimidin-4-yl]benzonitrile
CID 118259453
9-(4,6-diphenylpyrimidin-2-yl)-2-(9-phenylcarbazol-3-yl)-6-[3-[4-phenyl-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138459281
3-(3-carbazol-9-ylphenyl)-6-(4,6-diphenyl-2-pyridinyl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 144573716

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[2-[3-[9-[4-[3-[4-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
The IUPAC name of 4-[2-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[2-[3-[9-[4-[3-[4-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile (CID 159923902) is 4-[2-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[2-[3-[9-[4-[3-[4-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile.
What is the SMILES notation for 4-[2-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[2-[3-[9-[4-[3-[4-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
The canonical SMILES for 4-[2-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[2-[3-[9-[4-[3-[4-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile is N#Cc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6cc(-c7ccccc7)cc(-c7ccc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10nc(-c%11ccccc%11)cc(-c%11ccc(C#N)cc%11)n%10)ccc98)cc7)c6)cc5)ccc43)n2)cc1.N#Cc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cc(-c7ccccc7)cc(-c7cccc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10nc(-c%11ccccc%11)cc(-c%11ccc(C#N)cc%11)n%10)ccc98)c7)c6)c5)ccc43)n2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cc(-c7ccccc7)cc(-c7cccc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10nc(-c%11ccccc%11)nc(-c%11ccc(C#N)cc%11)n%10)ccc98)c7)c6)c5)ccc43)n2)cc1.
What is the InChIKey of 4-[2-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[2-[3-[9-[4-[3-[4-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
The InChIKey is NYTMUFOEGJCPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C106H64N10.C104H62N12/c107-65-67-38-42-72(43-39-67)95-63-93(70-22-6-2-7-23-70)109-105(111-95)115-99-36-16-12-32-87(99)91-61-78(48-52-103(91)115)76-46-50-101-89(59-76)85-30-10-14-34-97(85)113(101)83-28-18-26-74(57-83)81-54-80(69-20-4-1-5-21-69)55-82(56-81)75-27-19-29-84(58-75)114-98-35-15-11-31-86(98)90-60-77(47-51-102(90)114)79-49-53-104-92(62-79)88-33-13-17-37-100(88)116(104)106-110-94(71-24-8-3-9-25-71)64-96(112-106)73-44-40-68(66-108)41-45-73;107-65-67-32-36-74(37-33-67)95-63-93(72-20-6-2-7-21-72)109-105(111-95)115-99-30-16-12-26-87(99)91-61-78(46-54-103(91)115)76-44-52-101-89(59-76)85-24-10-14-28-97(85)113(101)83-48-40-70(41-49-83)81-56-80(69-18-4-1-5-19-69)57-82(58-81)71-42-50-84(51-43-71)114-98-29-15-11-25-86(98)90-60-77(45-53-102(90)114)79-47-55-104-92(62-79)88-27-13-17-31-100(88)116(104)106-110-94(73-22-8-3-9-23-73)64-96(112-106)75-38-34-68(66-108)35-39-75;105-63-65-38-42-70(43-39-65)101-107-99(68-22-6-2-7-23-68)109-103(111-101)115-93-36-16-12-32-85(93)89-61-76(48-52-97(89)115)74-46-50-95-87(59-74)83-30-10-14-34-91(83)113(95)81-28-18-26-72(57-81)79-54-78(67-20-4-1-5-21-67)55-80(56-79)73-27-19-29-82(58-73)114-92-35-15-11-31-84(92)88-60-75(47-51-96(88)114)77-49-53-98-90(62-77)86-33-13-17-37-94(86)116(98)104-110-100(69-24-8-3-9-25-69)108-102(112-104)71-44-40-66(64-106)41-45-71/h2*1-64H;1-62H.
What are the key properties of 4-[2-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[2-[3-[9-[4-[3-[4-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
4-[2-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[2-[3-[9-[4-[3-[4-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile has a molecular weight of 4435.22 g/mol, XLogP of 77.99, 39 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[2-[3-[9-[4-[3-[4-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile is sourced from PubChem (CID 159923902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).