2-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole

C44H34N2 — CID 143828963

IUPAC2-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole
SMILESCC1(C)c2cc(-c3ccc(C4Nc5ccccc5N4c4ccccc4)cc3)ccc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C44H34N2/c1-44(2)39-27-32(23-25-37(39)38-26-24-33(28-40(38)44)36-16-10-12-30-11-6-7-15-35(30)36)29-19-21-31(22-20-29)43-45-41-17-8-9-18-42(41)46(43)34-13-4-3-5-14-34/h3-28,43,45H,1-2H3
InChIKeyRWKFAJAHGIUQED-UHFFFAOYSA-N
MW590.77 g/mol
LogP11.74
Rot. Bonds4

About 2-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole

2-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole (PubChem CID 143828963) has the molecular formula C44H34N2 and a molecular weight of 590.77 g/mol. Its IUPAC name is 2-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Name2-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole
PubChem CID143828963
Molecular FormulaC44H34N2
Molecular Weight590.77 g/mol
Exact Mass590.27
IUPAC Name2-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole
SMILESCC1(C)c2cc(-c3ccc(C4Nc5ccccc5N4c4ccccc4)cc3)ccc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C44H34N2/c1-44(2)39-27-32(23-25-37(39)38-26-24-33(28-40(38)44)36-16-10-12-30-11-6-7-15-35(30)36)29-19-21-31(22-20-29)43-45-41-17-8-9-18-42(41)46(43)34-13-4-3-5-14-34/h3-28,43,45H,1-2H3
InChIKeyRWKFAJAHGIUQED-UHFFFAOYSA-N
XLogP11.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.77
LogP ≤ 511.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(3-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-1,2-dihydrobenzimidazole
CID 130241480
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
CID 123969680
2-[4-[3-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]-3-phenyl-1,2-dihydrobenzimidazole
CID 146413990
3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569433
2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 58881057
3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene
CID 123377158
2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene
CID 123907813
13-(4-phenylnaphthalen-1-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),4,6,8,11(16),12,14,18,20,22,24-undecaene
CID 146789246
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-5-phenylphenyl]phenanthrene
CID 58569124
2-(9,9-dimethylfluoren-2-yl)-7-[7-[9,9-dimethyl-7-(2-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58881021

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole?
The IUPAC name of 2-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole (CID 143828963) is 2-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole.
What is the SMILES notation for 2-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole?
The canonical SMILES for 2-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole is CC1(C)c2cc(-c3ccc(C4Nc5ccccc5N4c4ccccc4)cc3)ccc2-c2ccc(-c3cccc4ccccc34)cc21.
What is the InChIKey of 2-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole?
The InChIKey is RWKFAJAHGIUQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N2/c1-44(2)39-27-32(23-25-37(39)38-26-24-33(28-40(38)44)36-16-10-12-30-11-6-7-15-35(30)36)29-19-21-31(22-20-29)43-45-41-17-8-9-18-42(41)46(43)34-13-4-3-5-14-34/h3-28,43,45H,1-2H3.
What are the key properties of 2-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole?
2-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole has a molecular weight of 590.77 g/mol, XLogP of 11.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole is sourced from PubChem (CID 143828963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).