3-[3-[3,5-di(carbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole

C67H43N5 — CID 58500923

IUPAC3-[3-[3,5-di(carbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)nc3ccccc32)cc1
InChIInChI=1S/C67H43N5/c1-3-19-49(20-4-1)69-64-33-17-11-27-57(64)58-42-44(35-36-65(58)69)45-37-46(39-48(38-45)67-68-59-28-12-18-34-66(59)72(67)50-21-5-2-6-22-50)47-40-51(70-60-29-13-7-23-53(60)54-24-8-14-30-61(54)70)43-52(41-47)71-62-31-15-9-25-55(62)56-26-10-16-32-63(56)71/h1-43H
InChIKeyOHPGNVOQTWABED-UHFFFAOYSA-N
MW918.12 g/mol
LogP17.32
Rot. Bonds7

About 3-[3-[3,5-di(carbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole

3-[3-[3,5-di(carbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole (PubChem CID 58500923) has the molecular formula C67H43N5 and a molecular weight of 918.12 g/mol. Its IUPAC name is 3-[3-[3,5-di(carbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-[3,5-di(carbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole
PubChem CID58500923
Molecular FormulaC67H43N5
Molecular Weight918.12 g/mol
Exact Mass917.35
IUPAC Name3-[3-[3,5-di(carbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)nc3ccccc32)cc1
InChIInChI=1S/C67H43N5/c1-3-19-49(20-4-1)69-64-33-17-11-27-57(64)58-42-44(35-36-65(58)69)45-37-46(39-48(38-45)67-68-59-28-12-18-34-66(59)72(67)50-21-5-2-6-22-50)47-40-51(70-60-29-13-7-23-53(60)54-24-8-14-30-61(54)70)43-52(41-47)71-62-31-15-9-25-55(62)56-26-10-16-32-63(56)71/h1-43H
InChIKeyOHPGNVOQTWABED-UHFFFAOYSA-N
XLogP17.32
TPSA32.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.12
LogP ≤ 517.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3,5-di(carbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-[3,5-di(carbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole (CID 58500923) is 3-[3-[3,5-di(carbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-[3,5-di(carbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-[3,5-di(carbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole is c1ccc(-n2c(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)nc3ccccc32)cc1.
What is the InChIKey of 3-[3-[3,5-di(carbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole?
The InChIKey is OHPGNVOQTWABED-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N5/c1-3-19-49(20-4-1)69-64-33-17-11-27-57(64)58-42-44(35-36-65(58)69)45-37-46(39-48(38-45)67-68-59-28-12-18-34-66(59)72(67)50-21-5-2-6-22-50)47-40-51(70-60-29-13-7-23-53(60)54-24-8-14-30-61(54)70)43-52(41-47)71-62-31-15-9-25-55(62)56-26-10-16-32-63(56)71/h1-43H.
What are the key properties of 3-[3-[3,5-di(carbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole?
3-[3-[3,5-di(carbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole has a molecular weight of 918.12 g/mol, XLogP of 17.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3,5-di(carbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 58500923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).