3-[4-(3-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-1,2-dihydrobenzimidazole

C41H28N2 — CID 130241480

IUPAC3-[4-(3-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-1,2-dihydrobenzimidazole
SMILESc1ccc(C2Nc3ccccc3N2c2ccc(-c3cccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)cc2)cc1
InChIInChI=1S/C41H28N2/c1-2-10-28(11-3-1)41-42-38-18-6-7-19-39(38)43(41)31-22-20-27(21-23-31)29-12-8-13-30(26-29)32-24-25-37-34-15-5-4-14-33(34)36-17-9-16-35(32)40(36)37/h1-26,41-42H
InChIKeyDXLNDFZAVXZHDW-UHFFFAOYSA-N
MW548.69 g/mol
LogP11.08
Rot. Bonds4

About 3-[4-(3-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-1,2-dihydrobenzimidazole

3-[4-(3-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-1,2-dihydrobenzimidazole (PubChem CID 130241480) has the molecular formula C41H28N2 and a molecular weight of 548.69 g/mol. Its IUPAC name is 3-[4-(3-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Name3-[4-(3-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-1,2-dihydrobenzimidazole
PubChem CID130241480
Molecular FormulaC41H28N2
Molecular Weight548.69 g/mol
Exact Mass548.23
IUPAC Name3-[4-(3-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-1,2-dihydrobenzimidazole
SMILESc1ccc(C2Nc3ccccc3N2c2ccc(-c3cccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)cc2)cc1
InChIInChI=1S/C41H28N2/c1-2-10-28(11-3-1)41-42-38-18-6-7-19-39(38)43(41)31-22-20-27(21-23-31)29-12-8-13-30(26-29)32-24-25-37-34-15-5-4-14-33(34)36-17-9-16-35(32)40(36)37/h1-26,41-42H
InChIKeyDXLNDFZAVXZHDW-UHFFFAOYSA-N
XLogP11.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 511.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole
CID 143828963
2-ethyl-3-[3-(4-fluoranthen-3-ylphenyl)phenyl]-1,2-dihydrobenzimidazole
CID 130241934
3,6-diphenyl-9-[9-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]dibenzofuran-4-yl]carbazole
CID 146337785
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572
3-phenyl-2-(3-phenylphenyl)-6-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydrobenzimidazole
CID 89222158
3-naphthalen-2-yl-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-yl-1,2-dihydrobenzimidazole;3-naphthalen-2-yl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,2-dihydrobenzimidazole;3-(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-yl-1,2-dihydrobenzimidazole;3-(4-phenylphenyl)-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,2-dihydrobenzimidazole
CID 158319996
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-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019
2-[4-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-3-phenyl-1,2-dihydrobenzimidazole;2-[3-[2-(3,5-diphenylphenyl)-10-(3-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine;2-[4-[2-(3,5-diphenylphenyl)-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 159036101
3-[9-[4-(3-fluoranthen-3-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71291349
3-phenyl-2-[3-[6-phenyl-4-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrobenzimidazole
CID 170061747
1-phenyl-2-(4-phenylphenyl)-2,3-dihydroquinazolin-4-one
CID 11538084

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-1,2-dihydrobenzimidazole?
The IUPAC name of 3-[4-(3-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-1,2-dihydrobenzimidazole (CID 130241480) is 3-[4-(3-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-1,2-dihydrobenzimidazole.
What is the SMILES notation for 3-[4-(3-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-1,2-dihydrobenzimidazole?
The canonical SMILES for 3-[4-(3-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-1,2-dihydrobenzimidazole is c1ccc(C2Nc3ccccc3N2c2ccc(-c3cccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)cc2)cc1.
What is the InChIKey of 3-[4-(3-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-1,2-dihydrobenzimidazole?
The InChIKey is DXLNDFZAVXZHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2/c1-2-10-28(11-3-1)41-42-38-18-6-7-19-39(38)43(41)31-22-20-27(21-23-31)29-12-8-13-30(26-29)32-24-25-37-34-15-5-4-14-33(34)36-17-9-16-35(32)40(36)37/h1-26,41-42H.
What are the key properties of 3-[4-(3-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-1,2-dihydrobenzimidazole?
3-[4-(3-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-1,2-dihydrobenzimidazole has a molecular weight of 548.69 g/mol, XLogP of 11.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-1,2-dihydrobenzimidazole is sourced from PubChem (CID 130241480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).