3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-isocyanobenzonitrile

C233H146N22O — CID 159860855

IUPAC3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-isocyanobenzonitrile
SMILES[C-]#[N+]c1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(C#N)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1
InChIInChI=1S/C104H64N6.C57H35N7.C39H25N5.C33H22N4O/c1-106-100-103(109-96-54-46-79(71-34-18-6-19-35-71)62-87(96)88-63-80(47-55-97(88)109)72-36-20-7-21-37-72)101(107-92-50-42-75(67-26-10-2-11-27-67)58-83(92)84-59-76(43-51-93(84)107)68-28-12-3-13-29-68)91(66-105)102(108-94-52-44-77(69-30-14-4-15-31-69)60-85(94)86-61-78(45-53-95(86)108)70-32-16-5-17-33-70)104(100)110-98-56-48-81(73-38-22-8-23-39-73)64-89(98)90-65-82(49-57-99(90)110)74-40-24-9-25-41-74;1-2-16-36(17-3-1)55-58-56(63-51-28-14-8-22-43(51)45-34-37(30-32-53(45)63)61-47-24-10-4-18-39(47)40-19-5-11-25-48(40)61)60-57(59-55)64-52-29-15-9-23-44(52)46-35-38(31-33-54(46)64)62-49-26-12-6-20-41(49)42-21-7-13-27-50(42)62;1-3-13-26(14-4-1)37-40-38(27-15-5-2-6-16-27)42-39(41-37)44-35-22-12-9-19-31(35)32-25-28(23-24-36(32)44)43-33-20-10-7-17-29(33)30-18-8-11-21-34(30)43;1-3-11-23(12-4-1)31-34-32(24-13-5-2-6-14-24)36-33(35-31)25-19-21-26(22-20-25)37-27-15-7-9-17-29(27)38-30-18-10-8-16-28(30)37/h2-65H;1-35H;1-25H;1-22H
InChIKeyNRCWRPLSMHXGSY-UHFFFAOYSA-N
MW3269.88 g/mol
LogP59.61
Rot. Bonds25

About 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-isocyanobenzonitrile

3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-isocyanobenzonitrile (PubChem CID 159860855) has the molecular formula C233H146N22O and a molecular weight of 3269.88 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-isocyanobenzonitrile.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-isocyanobenzonitrile
PubChem CID159860855
Molecular FormulaC233H146N22O
Molecular Weight3269.88 g/mol
Exact Mass3267.20
IUPAC Name3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-isocyanobenzonitrile
SMILES[C-]#[N+]c1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(C#N)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1
InChIInChI=1S/C104H64N6.C57H35N7.C39H25N5.C33H22N4O/c1-106-100-103(109-96-54-46-79(71-34-18-6-19-35-71)62-87(96)88-63-80(47-55-97(88)109)72-36-20-7-21-37-72)101(107-92-50-42-75(67-26-10-2-11-27-67)58-83(92)84-59-76(43-51-93(84)107)68-28-12-3-13-29-68)91(66-105)102(108-94-52-44-77(69-30-14-4-15-31-69)60-85(94)86-61-78(45-53-95(86)108)70-32-16-5-17-33-70)104(100)110-98-56-48-81(73-38-22-8-23-39-73)64-89(98)90-65-82(49-57-99(90)110)74-40-24-9-25-41-74;1-2-16-36(17-3-1)55-58-56(63-51-28-14-8-22-43(51)45-34-37(30-32-53(45)63)61-47-24-10-4-18-39(47)40-19-5-11-25-48(40)61)60-57(59-55)64-52-29-15-9-23-44(52)46-35-38(31-33-54(46)64)62-49-26-12-6-20-41(49)42-21-7-13-27-50(42)62;1-3-13-26(14-4-1)37-40-38(27-15-5-2-6-16-27)42-39(41-37)44-35-22-12-9-19-31(35)32-25-28(23-24-36(32)44)43-33-20-10-7-17-29(33)30-18-8-11-21-34(30)43;1-3-11-23(12-4-1)31-34-32(24-13-5-2-6-14-24)36-33(35-31)25-19-21-26(22-20-25)37-27-15-7-9-17-29(27)38-30-18-10-8-16-28(30)37/h2-65H;1-35H;1-25H;1-22H
InChIKeyNRCWRPLSMHXGSY-UHFFFAOYSA-N
XLogP59.61
TPSA205.93 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds25
Heavy Atoms256
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003269.88
LogP ≤ 559.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-isocyanobenzonitrile with MolForge

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Related Compounds

3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;2,3,5,6-tetra(carbazol-9-yl)benzonitrile;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile
CID 158144130
9-(3-carbazol-9-ylphenyl)carbazole;9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile
CID 160940541
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole
CID 58556490
11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;methane
CID 162033819
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)-15,21-dioxa-1,11-diazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5(10),6,8,12,16,18,20(28),22,24,26-dodecaene
CID 134560001
5-isocyano-2,4-bis(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-3,6-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 156680360
3,6-di(carbazol-9-yl)-9-[6-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole
CID 88878795
3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572883
9-(4-carbazol-9-ylphenyl)-3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]acridin-9-one;10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine
CID 161300405
10-(4-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798
4-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile
CID 146573167
3-carbazol-9-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170132851

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-isocyanobenzonitrile?
The IUPAC name of 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-isocyanobenzonitrile (CID 159860855) is 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-isocyanobenzonitrile.
What is the SMILES notation for 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-isocyanobenzonitrile?
The canonical SMILES for 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-isocyanobenzonitrile is [C-]#[N+]c1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(C#N)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-isocyanobenzonitrile?
The InChIKey is NRCWRPLSMHXGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H64N6.C57H35N7.C39H25N5.C33H22N4O/c1-106-100-103(109-96-54-46-79(71-34-18-6-19-35-71)62-87(96)88-63-80(47-55-97(88)109)72-36-20-7-21-37-72)101(107-92-50-42-75(67-26-10-2-11-27-67)58-83(92)84-59-76(43-51-93(84)107)68-28-12-3-13-29-68)91(66-105)102(108-94-52-44-77(69-30-14-4-15-31-69)60-85(94)86-61-78(45-53-95(86)108)70-32-16-5-17-33-70)104(100)110-98-56-48-81(73-38-22-8-23-39-73)64-89(98)90-65-82(49-57-99(90)110)74-40-24-9-25-41-74;1-2-16-36(17-3-1)55-58-56(63-51-28-14-8-22-43(51)45-34-37(30-32-53(45)63)61-47-24-10-4-18-39(47)40-19-5-11-25-48(40)61)60-57(59-55)64-52-29-15-9-23-44(52)46-35-38(31-33-54(46)64)62-49-26-12-6-20-41(49)42-21-7-13-27-50(42)62;1-3-13-26(14-4-1)37-40-38(27-15-5-2-6-16-27)42-39(41-37)44-35-22-12-9-19-31(35)32-25-28(23-24-36(32)44)43-33-20-10-7-17-29(33)30-18-8-11-21-34(30)43;1-3-11-23(12-4-1)31-34-32(24-13-5-2-6-14-24)36-33(35-31)25-19-21-26(22-20-25)37-27-15-7-9-17-29(27)38-30-18-10-8-16-28(30)37/h2-65H;1-35H;1-25H;1-22H.
What are the key properties of 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-isocyanobenzonitrile?
3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-isocyanobenzonitrile has a molecular weight of 3269.88 g/mol, XLogP of 59.61, 25 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-isocyanobenzonitrile is sourced from PubChem (CID 159860855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).