1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole

C44H32N2 — CID 143828941

IUPAC1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
SMILESCC1(C)c2cc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C44H32N2/c1-44(2)39-27-34(20-24-37(39)38-25-21-35(28-40(38)44)33-17-16-29-10-6-7-13-32(29)26-33)30-18-22-36(23-19-30)46-42-15-9-8-14-41(42)45-43(46)31-11-4-3-5-12-31/h3-28H,1-2H3
InChIKeyQNVZRDUNPRLPPT-UHFFFAOYSA-N
MW588.75 g/mol
LogP11.49
Rot. Bonds4

About 1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole

1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole (PubChem CID 143828941) has the molecular formula C44H32N2 and a molecular weight of 588.75 g/mol. Its IUPAC name is 1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
PubChem CID143828941
Molecular FormulaC44H32N2
Molecular Weight588.75 g/mol
Exact Mass588.26
IUPAC Name1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
SMILESCC1(C)c2cc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C44H32N2/c1-44(2)39-27-34(20-24-37(39)38-25-21-35(28-40(38)44)33-17-16-29-10-6-7-13-32(29)26-33)30-18-22-36(23-19-30)46-42-15-9-8-14-41(42)45-43(46)31-11-4-3-5-12-31/h3-28H,1-2H3
InChIKeyQNVZRDUNPRLPPT-UHFFFAOYSA-N
XLogP11.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
1-phenyl-2-[4-(5,5,10,10-tetramethyl-2-naphthalen-2-ylindeno[2,1-a]inden-7-yl)phenyl]benzimidazole
CID 90068469
1-[4-(7,7-dimethyl-9-naphthalen-2-ylbenzo[c]fluoren-5-yl)phenyl]-2-phenylbenzimidazole
CID 143828997
ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole
CID 143828948
1-[4-(5,8-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 177291197
2-(10,10-dimethyl-14,21-dinaphthalen-2-yl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)-1-phenylbenzimidazole
CID 58412005
2-[4-[10,10-dimethyl-14,21-bis(4-phenylphenyl)-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]phenyl]-1-phenylbenzimidazole
CID 58411779
2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090
12,12-dimethyl-2,8-diphenyl-11-[4-(2-phenylbenzimidazol-1-yl)phenyl]indeno[2,1-a]carbazole
CID 90324800
12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole
CID 90324779
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylbenzimidazole
CID 143828980

Frequently Asked Questions

What is the IUPAC name of 1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole (CID 143828941) is 1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole is CC1(C)c2cc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21.
What is the InChIKey of 1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole?
The InChIKey is QNVZRDUNPRLPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2/c1-44(2)39-27-34(20-24-37(39)38-25-21-35(28-40(38)44)33-17-16-29-10-6-7-13-32(29)26-33)30-18-22-36(23-19-30)46-42-15-9-8-14-41(42)45-43(46)31-11-4-3-5-12-31/h3-28H,1-2H3.
What are the key properties of 1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole?
1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole has a molecular weight of 588.75 g/mol, XLogP of 11.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole is sourced from PubChem (CID 143828941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).