9-[3-[1-(6-carbazol-9-yl-9H-fluoren-3-yl)benzimidazol-2-yl]phenyl]carbazole

C50H32N4 — CID 58037507

IUPAC9-[3-[1-(6-carbazol-9-yl-9H-fluoren-3-yl)benzimidazol-2-yl]phenyl]carbazole
SMILESc1cc(-c2nc3ccccc3n2-c2ccc3c(c2)-c2cc(-n4c5ccccc5c5ccccc54)ccc2C3)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C50H32N4/c1-6-19-45-38(14-1)39-15-2-7-20-46(39)52(45)35-13-11-12-34(29-35)50-51-44-18-5-10-23-49(44)54(50)37-27-25-33-28-32-24-26-36(30-42(32)43(33)31-37)53-47-21-8-3-16-40(47)41-17-4-9-22-48(41)53/h1-27,29-31H,28H2
InChIKeyYJHWOCPVQHOSBW-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.46
Rot. Bonds4

About 9-[3-[1-(6-carbazol-9-yl-9H-fluoren-3-yl)benzimidazol-2-yl]phenyl]carbazole

9-[3-[1-(6-carbazol-9-yl-9H-fluoren-3-yl)benzimidazol-2-yl]phenyl]carbazole (PubChem CID 58037507) has the molecular formula C50H32N4 and a molecular weight of 688.83 g/mol. Its IUPAC name is 9-[3-[1-(6-carbazol-9-yl-9H-fluoren-3-yl)benzimidazol-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[1-(6-carbazol-9-yl-9H-fluoren-3-yl)benzimidazol-2-yl]phenyl]carbazole
PubChem CID58037507
Molecular FormulaC50H32N4
Molecular Weight688.83 g/mol
Exact Mass688.26
IUPAC Name9-[3-[1-(6-carbazol-9-yl-9H-fluoren-3-yl)benzimidazol-2-yl]phenyl]carbazole
SMILESc1cc(-c2nc3ccccc3n2-c2ccc3c(c2)-c2cc(-n4c5ccccc5c5ccccc54)ccc2C3)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C50H32N4/c1-6-19-45-38(14-1)39-15-2-7-20-46(39)52(45)35-13-11-12-34(29-35)50-51-44-18-5-10-23-49(44)54(50)37-27-25-33-28-32-24-26-36(30-42(32)43(33)31-37)53-47-21-8-3-16-40(47)41-17-4-9-22-48(41)53/h1-27,29-31H,28H2
InChIKeyYJHWOCPVQHOSBW-UHFFFAOYSA-N
XLogP12.46
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[1-(6-carbazol-9-yl-9H-fluoren-3-yl)benzimidazol-2-yl]phenyl]carbazole?
The IUPAC name of 9-[3-[1-(6-carbazol-9-yl-9H-fluoren-3-yl)benzimidazol-2-yl]phenyl]carbazole (CID 58037507) is 9-[3-[1-(6-carbazol-9-yl-9H-fluoren-3-yl)benzimidazol-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[1-(6-carbazol-9-yl-9H-fluoren-3-yl)benzimidazol-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-[1-(6-carbazol-9-yl-9H-fluoren-3-yl)benzimidazol-2-yl]phenyl]carbazole is c1cc(-c2nc3ccccc3n2-c2ccc3c(c2)-c2cc(-n4c5ccccc5c5ccccc54)ccc2C3)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-[1-(6-carbazol-9-yl-9H-fluoren-3-yl)benzimidazol-2-yl]phenyl]carbazole?
The InChIKey is YJHWOCPVQHOSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4/c1-6-19-45-38(14-1)39-15-2-7-20-46(39)52(45)35-13-11-12-34(29-35)50-51-44-18-5-10-23-49(44)54(50)37-27-25-33-28-32-24-26-36(30-42(32)43(33)31-37)53-47-21-8-3-16-40(47)41-17-4-9-22-48(41)53/h1-27,29-31H,28H2.
What are the key properties of 9-[3-[1-(6-carbazol-9-yl-9H-fluoren-3-yl)benzimidazol-2-yl]phenyl]carbazole?
9-[3-[1-(6-carbazol-9-yl-9H-fluoren-3-yl)benzimidazol-2-yl]phenyl]carbazole has a molecular weight of 688.83 g/mol, XLogP of 12.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[1-(6-carbazol-9-yl-9H-fluoren-3-yl)benzimidazol-2-yl]phenyl]carbazole is sourced from PubChem (CID 58037507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).