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

C49H32N4 — CID 58500855

IUPAC3-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-n4c5ccccc5c5ccccc54)c3)nc3ccccc32)cc1
InChIInChI=1S/C49H32N4/c1-3-15-36(16-4-1)51-46-25-13-9-21-41(46)42-32-33(27-28-47(42)51)34-29-35(49-50-43-22-10-14-26-48(43)53(49)37-17-5-2-6-18-37)31-38(30-34)52-44-23-11-7-19-39(44)40-20-8-12-24-45(40)52/h1-32H
InChIKeyWLPJXSJEPRBCTC-UHFFFAOYSA-N
MW676.82 g/mol
LogP12.55
Rot. Bonds5

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

3-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole (PubChem CID 58500855) has the molecular formula C49H32N4 and a molecular weight of 676.82 g/mol. Its IUPAC name is 3-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole
PubChem CID58500855
Molecular FormulaC49H32N4
Molecular Weight676.82 g/mol
Exact Mass676.26
IUPAC Name3-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-n4c5ccccc5c5ccccc54)c3)nc3ccccc32)cc1
InChIInChI=1S/C49H32N4/c1-3-15-36(16-4-1)51-46-25-13-9-21-41(46)42-32-33(27-28-47(42)51)34-29-35(49-50-43-22-10-14-26-48(43)53(49)37-17-5-2-6-18-37)31-38(30-34)52-44-23-11-7-19-39(44)40-20-8-12-24-45(40)52/h1-32H
InChIKeyWLPJXSJEPRBCTC-UHFFFAOYSA-N
XLogP12.55
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole (CID 58500855) is 3-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole is c1ccc(-n2c(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-n4c5ccccc5c5ccccc54)c3)nc3ccccc32)cc1.
What is the InChIKey of 3-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole?
The InChIKey is WLPJXSJEPRBCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4/c1-3-15-36(16-4-1)51-46-25-13-9-21-41(46)42-32-33(27-28-47(42)51)34-29-35(49-50-43-22-10-14-26-48(43)53(49)37-17-5-2-6-18-37)31-38(30-34)52-44-23-11-7-19-39(44)40-20-8-12-24-45(40)52/h1-32H.
What are the key properties of 3-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole?
3-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole has a molecular weight of 676.82 g/mol, XLogP of 12.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 58500855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).