9-[4,6-bis(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole

C70H44N8 — CID 89419709

IUPAC9-[4,6-bis(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
SMILESc1ccc(-n2c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)nc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)n4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C70H44N8/c1-4-18-50(19-5-1)75-60-28-14-10-24-53(60)56-39-36-48(43-65(56)75)67-72-68(49-37-40-57-54-25-11-15-29-61(54)76(66(57)44-49)51-20-6-2-7-21-51)74-70(73-67)78-62-30-16-12-26-55(62)58-42-47(38-41-63(58)78)45-32-34-46(35-33-45)69-71-59-27-13-17-31-64(59)77(69)52-22-8-3-9-23-52/h1-44H
InChIKeyFURZJADLOIKHMK-UHFFFAOYSA-N
MW997.18 g/mol
LogP17.17
Rot. Bonds8

About 9-[4,6-bis(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole

9-[4,6-bis(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole (PubChem CID 89419709) has the molecular formula C70H44N8 and a molecular weight of 997.18 g/mol. Its IUPAC name is 9-[4,6-bis(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4,6-bis(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
PubChem CID89419709
Molecular FormulaC70H44N8
Molecular Weight997.18 g/mol
Exact Mass996.37
IUPAC Name9-[4,6-bis(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
SMILESc1ccc(-n2c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)nc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)n4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C70H44N8/c1-4-18-50(19-5-1)75-60-28-14-10-24-53(60)56-39-36-48(43-65(56)75)67-72-68(49-37-40-57-54-25-11-15-29-61(54)76(66(57)44-49)51-20-6-2-7-21-51)74-70(73-67)78-62-30-16-12-26-55(62)58-42-47(38-41-63(58)78)45-32-34-46(35-33-45)69-71-59-27-13-17-31-64(59)77(69)52-22-8-3-9-23-52/h1-44H
InChIKeyFURZJADLOIKHMK-UHFFFAOYSA-N
XLogP17.17
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.18
LogP ≤ 517.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-[4,6-bis(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
The IUPAC name of 9-[4,6-bis(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole (CID 89419709) is 9-[4,6-bis(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4,6-bis(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[4,6-bis(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole is c1ccc(-n2c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)nc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)n4)cc3)nc3ccccc32)cc1.
What is the InChIKey of 9-[4,6-bis(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
The InChIKey is FURZJADLOIKHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N8/c1-4-18-50(19-5-1)75-60-28-14-10-24-53(60)56-39-36-48(43-65(56)75)67-72-68(49-37-40-57-54-25-11-15-29-61(54)76(66(57)44-49)51-20-6-2-7-21-51)74-70(73-67)78-62-30-16-12-26-55(62)58-42-47(38-41-63(58)78)45-32-34-46(35-33-45)69-71-59-27-13-17-31-64(59)77(69)52-22-8-3-9-23-52/h1-44H.
What are the key properties of 9-[4,6-bis(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
9-[4,6-bis(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole has a molecular weight of 997.18 g/mol, XLogP of 17.17, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4,6-bis(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole is sourced from PubChem (CID 89419709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).