3-[2-[3-(3-carbazol-9-ylphenyl)-6-[3-[4-[3-[3-[9-[4-(3-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-6-phenylcarbazol-9-yl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile

C118H71N11 — CID 135264731

IUPAC3-[2-[3-(3-carbazol-9-ylphenyl)-6-[3-[4-[3-[3-[9-[4-(3-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-6-phenylcarbazol-9-yl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4c4cc(-c5cccc(-n6c7ccccc7c7c(-c8cccc(-n9c%10ccc(-c%11ccccc%11)cc%10c%10cc(-c%11ccc%12c%13ccccc%13n(-c%13nc(-c%14ccccc%14)cc(-c%14cccc(C#N)c%14)n%13)c%12c%11)ccc%109)c8)cccc76)c5)ccc43)n2)c1
InChIInChI=1S/C118H71N11/c119-72-74-24-18-35-87(60-74)104-70-102(77-28-6-2-7-29-77)121-117(123-104)128-112-58-53-82(79-32-20-37-89(62-79)125-106-45-14-10-40-93(106)94-41-11-15-46-107(94)125)66-100(112)101-67-83(54-59-113(101)128)80-33-21-38-90(63-80)127-109-48-17-13-43-97(109)116-92(44-23-49-114(116)127)86-34-22-39-91(64-86)126-110-56-51-81(76-26-4-1-5-27-76)65-98(110)99-68-84(52-57-111(99)126)85-50-55-96-95-42-12-16-47-108(95)129(115(96)69-85)118-122-103(78-30-8-3-9-31-78)71-105(124-118)88-36-19-25-75(61-88)73-120/h1-71H
InChIKeyXVLCMZLTJLADBE-UHFFFAOYSA-N
MW1642.94 g/mol
LogP29.50
Rot. Bonds14

About 3-[2-[3-(3-carbazol-9-ylphenyl)-6-[3-[4-[3-[3-[9-[4-(3-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-6-phenylcarbazol-9-yl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile

3-[2-[3-(3-carbazol-9-ylphenyl)-6-[3-[4-[3-[3-[9-[4-(3-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-6-phenylcarbazol-9-yl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile (PubChem CID 135264731) has the molecular formula C118H71N11 and a molecular weight of 1642.94 g/mol. Its IUPAC name is 3-[2-[3-(3-carbazol-9-ylphenyl)-6-[3-[4-[3-[3-[9-[4-(3-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-6-phenylcarbazol-9-yl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile.

Molecular Properties

Compound Name3-[2-[3-(3-carbazol-9-ylphenyl)-6-[3-[4-[3-[3-[9-[4-(3-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-6-phenylcarbazol-9-yl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile
PubChem CID135264731
Molecular FormulaC118H71N11
Molecular Weight1642.94 g/mol
Exact Mass1641.59
IUPAC Name3-[2-[3-(3-carbazol-9-ylphenyl)-6-[3-[4-[3-[3-[9-[4-(3-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-6-phenylcarbazol-9-yl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4c4cc(-c5cccc(-n6c7ccccc7c7c(-c8cccc(-n9c%10ccc(-c%11ccccc%11)cc%10c%10cc(-c%11ccc%12c%13ccccc%13n(-c%13nc(-c%14ccccc%14)cc(-c%14cccc(C#N)c%14)n%13)c%12c%11)ccc%109)c8)cccc76)c5)ccc43)n2)c1
InChIInChI=1S/C118H71N11/c119-72-74-24-18-35-87(60-74)104-70-102(77-28-6-2-7-29-77)121-117(123-104)128-112-58-53-82(79-32-20-37-89(62-79)125-106-45-14-10-40-93(106)94-41-11-15-46-107(94)125)66-100(112)101-67-83(54-59-113(101)128)80-33-21-38-90(63-80)127-109-48-17-13-43-97(109)116-92(44-23-49-114(116)127)86-34-22-39-91(64-86)126-110-56-51-81(76-26-4-1-5-27-76)65-98(110)99-68-84(52-57-111(99)126)85-50-55-96-95-42-12-16-47-108(95)129(115(96)69-85)118-122-103(78-30-8-3-9-31-78)71-105(124-118)88-36-19-25-75(61-88)73-120/h1-71H
InChIKeyXVLCMZLTJLADBE-UHFFFAOYSA-N
XLogP29.50
TPSA123.79 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001642.94
LogP ≤ 529.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3-[2-[3-(3-carbazol-9-ylphenyl)-6-[3-[4-[3-[3-[9-[4-(3-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-6-phenylcarbazol-9-yl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile with MolForge

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Related Compounds

3-[2-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 90088595
6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
CID 134590951
2-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazole
CID 121444219
9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 160629026
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-phenyl-3-[9-phenyl-7-[4-[6-phenyl-2-[3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 155039415
3-[4,6-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]benzonitrile
CID 118259301
9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-9-phenylcarbazole
CID 157253653
3-[6-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazol-4-yl]benzonitrile
CID 139319666
4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 157250623
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
2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 157082857
9-[3-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 138731899

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(3-carbazol-9-ylphenyl)-6-[3-[4-[3-[3-[9-[4-(3-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-6-phenylcarbazol-9-yl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile?
The IUPAC name of 3-[2-[3-(3-carbazol-9-ylphenyl)-6-[3-[4-[3-[3-[9-[4-(3-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-6-phenylcarbazol-9-yl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile (CID 135264731) is 3-[2-[3-(3-carbazol-9-ylphenyl)-6-[3-[4-[3-[3-[9-[4-(3-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-6-phenylcarbazol-9-yl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile.
What is the SMILES notation for 3-[2-[3-(3-carbazol-9-ylphenyl)-6-[3-[4-[3-[3-[9-[4-(3-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-6-phenylcarbazol-9-yl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile?
The canonical SMILES for 3-[2-[3-(3-carbazol-9-ylphenyl)-6-[3-[4-[3-[3-[9-[4-(3-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-6-phenylcarbazol-9-yl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile is N#Cc1cccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4c4cc(-c5cccc(-n6c7ccccc7c7c(-c8cccc(-n9c%10ccc(-c%11ccccc%11)cc%10c%10cc(-c%11ccc%12c%13ccccc%13n(-c%13nc(-c%14ccccc%14)cc(-c%14cccc(C#N)c%14)n%13)c%12c%11)ccc%109)c8)cccc76)c5)ccc43)n2)c1.
What is the InChIKey of 3-[2-[3-(3-carbazol-9-ylphenyl)-6-[3-[4-[3-[3-[9-[4-(3-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-6-phenylcarbazol-9-yl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile?
The InChIKey is XVLCMZLTJLADBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C118H71N11/c119-72-74-24-18-35-87(60-74)104-70-102(77-28-6-2-7-29-77)121-117(123-104)128-112-58-53-82(79-32-20-37-89(62-79)125-106-45-14-10-40-93(106)94-41-11-15-46-107(94)125)66-100(112)101-67-83(54-59-113(101)128)80-33-21-38-90(63-80)127-109-48-17-13-43-97(109)116-92(44-23-49-114(116)127)86-34-22-39-91(64-86)126-110-56-51-81(76-26-4-1-5-27-76)65-98(110)99-68-84(52-57-111(99)126)85-50-55-96-95-42-12-16-47-108(95)129(115(96)69-85)118-122-103(78-30-8-3-9-31-78)71-105(124-118)88-36-19-25-75(61-88)73-120/h1-71H.
What are the key properties of 3-[2-[3-(3-carbazol-9-ylphenyl)-6-[3-[4-[3-[3-[9-[4-(3-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-6-phenylcarbazol-9-yl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile?
3-[2-[3-(3-carbazol-9-ylphenyl)-6-[3-[4-[3-[3-[9-[4-(3-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-6-phenylcarbazol-9-yl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile has a molecular weight of 1642.94 g/mol, XLogP of 29.50, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(3-carbazol-9-ylphenyl)-6-[3-[4-[3-[3-[9-[4-(3-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-6-phenylcarbazol-9-yl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile is sourced from PubChem (CID 135264731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).