5-[11,11,12,12-tetramethyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]fluoren-2-yl]quinolin-8-ol

C52H39N3O — CID 136502748

IUPAC5-[11,11,12,12-tetramethyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]fluoren-2-yl]quinolin-8-ol
SMILESCC1(C)c2cc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)ccc2-c2ccc3c(c21)C(C)(C)c1cc(-c2ccc(O)c4ncccc24)ccc1-3
InChIInChI=1S/C52H39N3O/c1-51(2)42-29-33(31-16-18-32(19-17-31)50-54-44-14-8-9-15-45(44)55(50)35-11-6-5-7-12-35)20-22-37(42)39-24-25-40-38-23-21-34(30-43(38)52(3,4)48(40)47(39)51)36-26-27-46(56)49-41(36)13-10-28-53-49/h5-30,56H,1-4H3
InChIKeyFJGQXCQBOHDZMD-UHFFFAOYSA-N
MW721.90 g/mol
LogP12.89
Rot. Bonds4

About 5-[11,11,12,12-tetramethyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]fluoren-2-yl]quinolin-8-ol

5-[11,11,12,12-tetramethyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]fluoren-2-yl]quinolin-8-ol (PubChem CID 136502748) has the molecular formula C52H39N3O and a molecular weight of 721.90 g/mol. Its IUPAC name is 5-[11,11,12,12-tetramethyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]fluoren-2-yl]quinolin-8-ol.

Molecular Properties

Compound Name5-[11,11,12,12-tetramethyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]fluoren-2-yl]quinolin-8-ol
PubChem CID136502748
Molecular FormulaC52H39N3O
Molecular Weight721.90 g/mol
Exact Mass721.31
IUPAC Name5-[11,11,12,12-tetramethyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]fluoren-2-yl]quinolin-8-ol
SMILESCC1(C)c2cc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)ccc2-c2ccc3c(c21)C(C)(C)c1cc(-c2ccc(O)c4ncccc24)ccc1-3
InChIInChI=1S/C52H39N3O/c1-51(2)42-29-33(31-16-18-32(19-17-31)50-54-44-14-8-9-15-45(44)55(50)35-11-6-5-7-12-35)20-22-37(42)39-24-25-40-38-23-21-34(30-43(38)52(3,4)48(40)47(39)51)36-26-27-46(56)49-41(36)13-10-28-53-49/h5-30,56H,1-4H3
InChIKeyFJGQXCQBOHDZMD-UHFFFAOYSA-N
XLogP12.89
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.90
LogP ≤ 512.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[11,11,12,12-tetramethyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]fluoren-2-yl]quinolin-8-ol?
The IUPAC name of 5-[11,11,12,12-tetramethyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]fluoren-2-yl]quinolin-8-ol (CID 136502748) is 5-[11,11,12,12-tetramethyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]fluoren-2-yl]quinolin-8-ol.
What is the SMILES notation for 5-[11,11,12,12-tetramethyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]fluoren-2-yl]quinolin-8-ol?
The canonical SMILES for 5-[11,11,12,12-tetramethyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]fluoren-2-yl]quinolin-8-ol is CC1(C)c2cc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)ccc2-c2ccc3c(c21)C(C)(C)c1cc(-c2ccc(O)c4ncccc24)ccc1-3.
What is the InChIKey of 5-[11,11,12,12-tetramethyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]fluoren-2-yl]quinolin-8-ol?
The InChIKey is FJGQXCQBOHDZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N3O/c1-51(2)42-29-33(31-16-18-32(19-17-31)50-54-44-14-8-9-15-45(44)55(50)35-11-6-5-7-12-35)20-22-37(42)39-24-25-40-38-23-21-34(30-43(38)52(3,4)48(40)47(39)51)36-26-27-46(56)49-41(36)13-10-28-53-49/h5-30,56H,1-4H3.
What are the key properties of 5-[11,11,12,12-tetramethyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]fluoren-2-yl]quinolin-8-ol?
5-[11,11,12,12-tetramethyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]fluoren-2-yl]quinolin-8-ol has a molecular weight of 721.90 g/mol, XLogP of 12.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[11,11,12,12-tetramethyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]fluoren-2-yl]quinolin-8-ol is sourced from PubChem (CID 136502748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).