3-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole

C162H99N9 — CID 161141149

IUPAC3-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc(-n5c6ccccc6c6ccccc65)ccc3n4-c3ccc(-c4c(-c5ccccc5)c(-c5ccccc5)c5c6cccc7c8ccccc8c8cccc(c5c4-c4ccccc4)c8c76)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccccc5n(-c5ccc(-c6c(-c7ccccc7)c(-c7ccccc7)c7c8cccc9c%10ccccc%10c%10cccc(c7c6-c6ccccc6)c%10c98)cc5)c4c3)n2)cc1
InChIInChI=1S/C87H53N5.C75H46N4/c1-6-24-54(25-7-1)77-78(80(56-28-10-3-11-29-56)84-70-41-23-39-68-64-35-17-16-34-63(64)67-38-22-40-69(81(67)82(68)70)83(84)79(77)55-26-8-2-9-27-55)57-44-47-61(48-45-57)91-75-50-46-60(87-89-85(58-30-12-4-13-31-58)88-86(90-87)59-32-14-5-15-33-59)52-71(75)72-53-62(49-51-76(72)91)92-73-42-20-18-36-65(73)66-37-19-21-43-74(66)92;1-6-22-47(23-7-1)65-66(68(49-26-10-3-11-27-49)72-62-38-21-36-60-56-33-17-16-32-55(56)59-35-20-37-61(69(59)70(60)62)71(72)67(65)48-24-8-2-9-25-48)50-40-43-54(44-41-50)79-63-39-19-18-34-57(63)58-45-42-53(46-64(58)79)75-77-73(51-28-12-4-13-29-51)76-74(78-75)52-30-14-5-15-31-52/h1-53H;1-46H
InChIKeyUNLQHVQVORPNGQ-UHFFFAOYSA-N
MW2171.64 g/mol
LogP42.78
Rot. Bonds17

About 3-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole

3-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole (PubChem CID 161141149) has the molecular formula C162H99N9 and a molecular weight of 2171.64 g/mol. Its IUPAC name is 3-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole
PubChem CID161141149
Molecular FormulaC162H99N9
Molecular Weight2171.64 g/mol
Exact Mass2169.80
IUPAC Name3-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc(-n5c6ccccc6c6ccccc65)ccc3n4-c3ccc(-c4c(-c5ccccc5)c(-c5ccccc5)c5c6cccc7c8ccccc8c8cccc(c5c4-c4ccccc4)c8c76)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccccc5n(-c5ccc(-c6c(-c7ccccc7)c(-c7ccccc7)c7c8cccc9c%10ccccc%10c%10cccc(c7c6-c6ccccc6)c%10c98)cc5)c4c3)n2)cc1
InChIInChI=1S/C87H53N5.C75H46N4/c1-6-24-54(25-7-1)77-78(80(56-28-10-3-11-29-56)84-70-41-23-39-68-64-35-17-16-34-63(64)67-38-22-40-69(81(67)82(68)70)83(84)79(77)55-26-8-2-9-27-55)57-44-47-61(48-45-57)91-75-50-46-60(87-89-85(58-30-12-4-13-31-58)88-86(90-87)59-32-14-5-15-33-59)52-71(75)72-53-62(49-51-76(72)91)92-73-42-20-18-36-65(73)66-37-19-21-43-74(66)92;1-6-22-47(23-7-1)65-66(68(49-26-10-3-11-27-49)72-62-38-21-36-60-56-33-17-16-32-55(56)59-35-20-37-61(69(59)70(60)62)71(72)67(65)48-24-8-2-9-25-48)50-40-43-54(44-41-50)79-63-39-19-18-34-57(63)58-45-42-53(46-64(58)79)75-77-73(51-28-12-4-13-29-51)76-74(78-75)52-30-14-5-15-31-52/h1-53H;1-46H
InChIKeyUNLQHVQVORPNGQ-UHFFFAOYSA-N
XLogP42.78
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms171
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002171.64
LogP ≤ 542.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole with MolForge

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Related Compounds

2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 121475607
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 88866667
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 121306370
3-carbazol-9-yl-9-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153459439
3-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 158366423
9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]triphenylen-2-yl]-3-phenylcarbazole
CID 148701272
21-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylcarbazol-3-yl)-3-azaheptacyclo[15.12.0.02,10.04,9.011,16.018,23.024,29]nonacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24,26,28-tetradecaene
CID 138726869
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 90211376
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
CID 88878713
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole?
The IUPAC name of 3-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole (CID 161141149) is 3-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc(-n5c6ccccc6c6ccccc65)ccc3n4-c3ccc(-c4c(-c5ccccc5)c(-c5ccccc5)c5c6cccc7c8ccccc8c8cccc(c5c4-c4ccccc4)c8c76)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccccc5n(-c5ccc(-c6c(-c7ccccc7)c(-c7ccccc7)c7c8cccc9c%10ccccc%10c%10cccc(c7c6-c6ccccc6)c%10c98)cc5)c4c3)n2)cc1.
What is the InChIKey of 3-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole?
The InChIKey is UNLQHVQVORPNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H53N5.C75H46N4/c1-6-24-54(25-7-1)77-78(80(56-28-10-3-11-29-56)84-70-41-23-39-68-64-35-17-16-34-63(64)67-38-22-40-69(81(67)82(68)70)83(84)79(77)55-26-8-2-9-27-55)57-44-47-61(48-45-57)91-75-50-46-60(87-89-85(58-30-12-4-13-31-58)88-86(90-87)59-32-14-5-15-33-59)52-71(75)72-53-62(49-51-76(72)91)92-73-42-20-18-36-65(73)66-37-19-21-43-74(66)92;1-6-22-47(23-7-1)65-66(68(49-26-10-3-11-27-49)72-62-38-21-36-60-56-33-17-16-32-55(56)59-35-20-37-61(69(59)70(60)62)71(72)67(65)48-24-8-2-9-25-48)50-40-43-54(44-41-50)79-63-39-19-18-34-57(63)58-45-42-53(46-64(58)79)75-77-73(51-28-12-4-13-29-51)76-74(78-75)52-30-14-5-15-31-52/h1-53H;1-46H.
What are the key properties of 3-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole?
3-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole has a molecular weight of 2171.64 g/mol, XLogP of 42.78, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(3,5,6-triphenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]carbazole is sourced from PubChem (CID 161141149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).