2-[4-(9H-fluoren-2-yl)-1-methylbenzimidazol-2-yl]-9-[3-(1-methylbenzimidazol-2-yl)phenyl]carbazole

C47H33N5 — CID 159360341

IUPAC2-[4-(9H-fluoren-2-yl)-1-methylbenzimidazol-2-yl]-9-[3-(1-methylbenzimidazol-2-yl)phenyl]carbazole
SMILESCn1c(-c2cccc(-n3c4ccccc4c4ccc(-c5nc6c(-c7ccc8c(c7)Cc7ccccc7-8)cccc6n5C)cc43)c2)nc2ccccc21
InChIInChI=1S/C47H33N5/c1-50-42-19-8-6-17-40(42)48-46(50)31-12-9-13-34(27-31)52-41-18-7-5-15-38(41)39-24-22-32(28-44(39)52)47-49-45-37(16-10-20-43(45)51(47)2)30-21-23-36-33(26-30)25-29-11-3-4-14-35(29)36/h3-24,26-28H,25H2,1-2H3
InChIKeyBDNGERJSOIBGKQ-UHFFFAOYSA-N
MW667.82 g/mol
LogP11.13
Rot. Bonds4

About 2-[4-(9H-fluoren-2-yl)-1-methylbenzimidazol-2-yl]-9-[3-(1-methylbenzimidazol-2-yl)phenyl]carbazole

2-[4-(9H-fluoren-2-yl)-1-methylbenzimidazol-2-yl]-9-[3-(1-methylbenzimidazol-2-yl)phenyl]carbazole (PubChem CID 159360341) has the molecular formula C47H33N5 and a molecular weight of 667.82 g/mol. Its IUPAC name is 2-[4-(9H-fluoren-2-yl)-1-methylbenzimidazol-2-yl]-9-[3-(1-methylbenzimidazol-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name2-[4-(9H-fluoren-2-yl)-1-methylbenzimidazol-2-yl]-9-[3-(1-methylbenzimidazol-2-yl)phenyl]carbazole
PubChem CID159360341
Molecular FormulaC47H33N5
Molecular Weight667.82 g/mol
Exact Mass667.27
IUPAC Name2-[4-(9H-fluoren-2-yl)-1-methylbenzimidazol-2-yl]-9-[3-(1-methylbenzimidazol-2-yl)phenyl]carbazole
SMILESCn1c(-c2cccc(-n3c4ccccc4c4ccc(-c5nc6c(-c7ccc8c(c7)Cc7ccccc7-8)cccc6n5C)cc43)c2)nc2ccccc21
InChIInChI=1S/C47H33N5/c1-50-42-19-8-6-17-40(42)48-46(50)31-12-9-13-34(27-31)52-41-18-7-5-15-38(41)39-24-22-32(28-44(39)52)47-49-45-37(16-10-20-43(45)51(47)2)30-21-23-36-33(26-30)25-29-11-3-4-14-35(29)36/h3-24,26-28H,25H2,1-2H3
InChIKeyBDNGERJSOIBGKQ-UHFFFAOYSA-N
XLogP11.13
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.82
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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9-[3-[2,4-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
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6-carbazol-9-yl-2-(9H-fluoren-3-yl)-9-methylcarbazole
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7-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
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Frequently Asked Questions

What is the IUPAC name of 2-[4-(9H-fluoren-2-yl)-1-methylbenzimidazol-2-yl]-9-[3-(1-methylbenzimidazol-2-yl)phenyl]carbazole?
The IUPAC name of 2-[4-(9H-fluoren-2-yl)-1-methylbenzimidazol-2-yl]-9-[3-(1-methylbenzimidazol-2-yl)phenyl]carbazole (CID 159360341) is 2-[4-(9H-fluoren-2-yl)-1-methylbenzimidazol-2-yl]-9-[3-(1-methylbenzimidazol-2-yl)phenyl]carbazole.
What is the SMILES notation for 2-[4-(9H-fluoren-2-yl)-1-methylbenzimidazol-2-yl]-9-[3-(1-methylbenzimidazol-2-yl)phenyl]carbazole?
The canonical SMILES for 2-[4-(9H-fluoren-2-yl)-1-methylbenzimidazol-2-yl]-9-[3-(1-methylbenzimidazol-2-yl)phenyl]carbazole is Cn1c(-c2cccc(-n3c4ccccc4c4ccc(-c5nc6c(-c7ccc8c(c7)Cc7ccccc7-8)cccc6n5C)cc43)c2)nc2ccccc21.
What is the InChIKey of 2-[4-(9H-fluoren-2-yl)-1-methylbenzimidazol-2-yl]-9-[3-(1-methylbenzimidazol-2-yl)phenyl]carbazole?
The InChIKey is BDNGERJSOIBGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N5/c1-50-42-19-8-6-17-40(42)48-46(50)31-12-9-13-34(27-31)52-41-18-7-5-15-38(41)39-24-22-32(28-44(39)52)47-49-45-37(16-10-20-43(45)51(47)2)30-21-23-36-33(26-30)25-29-11-3-4-14-35(29)36/h3-24,26-28H,25H2,1-2H3.
What are the key properties of 2-[4-(9H-fluoren-2-yl)-1-methylbenzimidazol-2-yl]-9-[3-(1-methylbenzimidazol-2-yl)phenyl]carbazole?
2-[4-(9H-fluoren-2-yl)-1-methylbenzimidazol-2-yl]-9-[3-(1-methylbenzimidazol-2-yl)phenyl]carbazole has a molecular weight of 667.82 g/mol, XLogP of 11.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9H-fluoren-2-yl)-1-methylbenzimidazol-2-yl]-9-[3-(1-methylbenzimidazol-2-yl)phenyl]carbazole is sourced from PubChem (CID 159360341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).