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

C46H36N2 — CID 143828917

IUPAC1-[4-(9,9-diethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
SMILESCCC1(CC)c2cc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)ccc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C46H36N2/c1-3-46(4-2)41-29-34(23-27-39(41)40-28-24-35(30-42(40)46)38-18-12-16-32-13-8-9-17-37(32)38)31-21-25-36(26-22-31)48-44-20-11-10-19-43(44)47-45(48)33-14-6-5-7-15-33/h5-30H,3-4H2,1-2H3
InChIKeyAXQVOHBVRMYRFC-UHFFFAOYSA-N
MW616.81 g/mol
LogP12.27
Rot. Bonds6

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

1-[4-(9,9-diethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole (PubChem CID 143828917) has the molecular formula C46H36N2 and a molecular weight of 616.81 g/mol. Its IUPAC name is 1-[4-(9,9-diethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[4-(9,9-diethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
PubChem CID143828917
Molecular FormulaC46H36N2
Molecular Weight616.81 g/mol
Exact Mass616.29
IUPAC Name1-[4-(9,9-diethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
SMILESCCC1(CC)c2cc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)ccc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C46H36N2/c1-3-46(4-2)41-29-34(23-27-39(41)40-28-24-35(30-42(40)46)38-18-12-16-32-13-8-9-17-37(32)38)31-21-25-36(26-22-31)48-44-20-11-10-19-43(44)47-45(48)33-14-6-5-7-15-33/h5-30H,3-4H2,1-2H3
InChIKeyAXQVOHBVRMYRFC-UHFFFAOYSA-N
XLogP12.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.81
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(9,9-diethyl-7-pyren-1-ylfluoren-2-yl)phenyl]-2-methylbenzimidazole
CID 143828933
1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole
CID 58106321
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090
1-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953721
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828941
1-[4-(5,8-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 177291197
ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole
CID 143828948
12,12-dimethyl-2,8-diphenyl-11-[4-(2-phenylbenzimidazol-1-yl)phenyl]indeno[2,1-a]carbazole
CID 90324800
2-[4-[7-[3-[4-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-10-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole
CID 126517504
1-(4-phenylphenyl)-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylbenzimidazole
CID 134528323

Frequently Asked Questions

What is the IUPAC name of 1-[4-(9,9-diethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[4-(9,9-diethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole (CID 143828917) is 1-[4-(9,9-diethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[4-(9,9-diethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[4-(9,9-diethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole is CCC1(CC)c2cc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)ccc2-c2ccc(-c3cccc4ccccc34)cc21.
What is the InChIKey of 1-[4-(9,9-diethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole?
The InChIKey is AXQVOHBVRMYRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N2/c1-3-46(4-2)41-29-34(23-27-39(41)40-28-24-35(30-42(40)46)38-18-12-16-32-13-8-9-17-37(32)38)31-21-25-36(26-22-31)48-44-20-11-10-19-43(44)47-45(48)33-14-6-5-7-15-33/h5-30H,3-4H2,1-2H3.
What are the key properties of 1-[4-(9,9-diethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole?
1-[4-(9,9-diethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole has a molecular weight of 616.81 g/mol, XLogP of 12.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(9,9-diethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole is sourced from PubChem (CID 143828917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).