9-[4-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole

C49H32N4 — CID 58500852

IUPAC9-[4-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-n2c(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-n4c5ccccc5c5ccccc54)c3)nc3ccccc32)cc1
InChIInChI=1S/C49H32N4/c1-2-14-36(15-3-1)53-48-25-13-8-20-43(48)50-49(53)35-30-34(31-38(32-35)52-46-23-11-6-18-41(46)42-19-7-12-24-47(42)52)33-26-28-37(29-27-33)51-44-21-9-4-16-39(44)40-17-5-10-22-45(40)51/h1-32H
InChIKeyYFJARKQHOXVGCW-UHFFFAOYSA-N
MW676.82 g/mol
LogP12.55
Rot. Bonds5

About 9-[4-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole

9-[4-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole (PubChem CID 58500852) has the molecular formula C49H32N4 and a molecular weight of 676.82 g/mol. Its IUPAC name is 9-[4-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
PubChem CID58500852
Molecular FormulaC49H32N4
Molecular Weight676.82 g/mol
Exact Mass676.26
IUPAC Name9-[4-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-n2c(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-n4c5ccccc5c5ccccc54)c3)nc3ccccc32)cc1
InChIInChI=1S/C49H32N4/c1-2-14-36(15-3-1)53-48-25-13-8-20-43(48)50-49(53)35-30-34(31-38(32-35)52-46-23-11-6-18-41(46)42-19-7-12-24-47(42)52)33-26-28-37(29-27-33)51-44-21-9-4-16-39(44)40-17-5-10-22-45(40)51/h1-32H
InChIKeyYFJARKQHOXVGCW-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 9-[4-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole (CID 58500852) is 9-[4-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole is c1ccc(-n2c(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-n4c5ccccc5c5ccccc54)c3)nc3ccccc32)cc1.
What is the InChIKey of 9-[4-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole?
The InChIKey is YFJARKQHOXVGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4/c1-2-14-36(15-3-1)53-48-25-13-8-20-43(48)50-49(53)35-30-34(31-38(32-35)52-46-23-11-6-18-41(46)42-19-7-12-24-47(42)52)33-26-28-37(29-27-33)51-44-21-9-4-16-39(44)40-17-5-10-22-45(40)51/h1-32H.
What are the key properties of 9-[4-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole?
9-[4-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole 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 9-[4-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 58500852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).