9-[(7Z,9Z)-6-methylidene-10-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-5H-benzo[8]annulen-4-yl]-2-phenylcarbazole

C50H37N3 — CID 170281725

IUPAC9-[(7Z,9Z)-6-methylidene-10-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-5H-benzo[8]annulen-4-yl]-2-phenylcarbazole
SMILESC=C1/C=C\C=C(\c2ccc(C3Nc4ccccc4N3c3ccccc3)cc2)c2cccc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)c2C1
InChIInChI=1S/C50H37N3/c1-34-14-12-20-40(36-26-28-37(29-27-36)50-51-45-22-9-11-24-48(45)52(50)39-17-6-3-7-18-39)41-21-13-25-47(44(41)32-34)53-46-23-10-8-19-42(46)43-31-30-38(33-49(43)53)35-15-4-2-5-16-35/h2-31,33,50-51H,1,32H2/b14-12-,40-20-
InChIKeyLRKYNBJSGNPRLS-FYWLTHJESA-N
MW679.87 g/mol
LogP12.81
Rot. Bonds5

About 9-[(7Z,9Z)-6-methylidene-10-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-5H-benzo[8]annulen-4-yl]-2-phenylcarbazole

9-[(7Z,9Z)-6-methylidene-10-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-5H-benzo[8]annulen-4-yl]-2-phenylcarbazole (PubChem CID 170281725) has the molecular formula C50H37N3 and a molecular weight of 679.87 g/mol. Its IUPAC name is 9-[(7Z,9Z)-6-methylidene-10-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-5H-benzo[8]annulen-4-yl]-2-phenylcarbazole.

Molecular Properties

Compound Name9-[(7Z,9Z)-6-methylidene-10-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-5H-benzo[8]annulen-4-yl]-2-phenylcarbazole
PubChem CID170281725
Molecular FormulaC50H37N3
Molecular Weight679.87 g/mol
Exact Mass679.30
IUPAC Name9-[(7Z,9Z)-6-methylidene-10-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-5H-benzo[8]annulen-4-yl]-2-phenylcarbazole
SMILESC=C1/C=C\C=C(\c2ccc(C3Nc4ccccc4N3c3ccccc3)cc2)c2cccc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)c2C1
InChIInChI=1S/C50H37N3/c1-34-14-12-20-40(36-26-28-37(29-27-36)50-51-45-22-9-11-24-48(45)52(50)39-17-6-3-7-18-39)41-21-13-25-47(44(41)32-34)53-46-23-10-8-19-42(46)43-31-30-38(33-49(43)53)35-15-4-2-5-16-35/h2-31,33,50-51H,1,32H2/b14-12-,40-20-
InChIKeyLRKYNBJSGNPRLS-FYWLTHJESA-N
XLogP12.81
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.87
LogP ≤ 512.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-11-[9-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indolo[3,2-b]carbazole
CID 146334027
2-phenyl-9-[4-phenyl-6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)dibenzothiophen-4-yl]-1,3,5-triazin-2-yl]carbazole
CID 146513273
3-[4-(3-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-1,2-dihydrobenzimidazole
CID 130241480
3,6-diphenyl-9-[9-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]dibenzofuran-4-yl]carbazole
CID 146337785
2-phenyl-9-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]carbazole
CID 166037119
2-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241625
2-(9-phenylcarbazol-2-yl)-9-[2-(2-phenylphenyl)phenyl]carbazole
CID 142315018
2-[9-(3-phenylphenyl)carbazol-2-yl]-9-[3-(2-phenylphenyl)phenyl]carbazole
CID 165386034
2-[2-(9-phenylcarbazol-2-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 162495147
2-[9-(2-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 142315065
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(3-phenylphenyl)phenyl]-3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 158933707
3-[9-(2-phenylphenyl)carbazol-2-yl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 142315053

Frequently Asked Questions

What is the IUPAC name of 9-[(7Z,9Z)-6-methylidene-10-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-5H-benzo[8]annulen-4-yl]-2-phenylcarbazole?
The IUPAC name of 9-[(7Z,9Z)-6-methylidene-10-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-5H-benzo[8]annulen-4-yl]-2-phenylcarbazole (CID 170281725) is 9-[(7Z,9Z)-6-methylidene-10-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-5H-benzo[8]annulen-4-yl]-2-phenylcarbazole.
What is the SMILES notation for 9-[(7Z,9Z)-6-methylidene-10-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-5H-benzo[8]annulen-4-yl]-2-phenylcarbazole?
The canonical SMILES for 9-[(7Z,9Z)-6-methylidene-10-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-5H-benzo[8]annulen-4-yl]-2-phenylcarbazole is C=C1/C=C\C=C(\c2ccc(C3Nc4ccccc4N3c3ccccc3)cc2)c2cccc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)c2C1.
What is the InChIKey of 9-[(7Z,9Z)-6-methylidene-10-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-5H-benzo[8]annulen-4-yl]-2-phenylcarbazole?
The InChIKey is LRKYNBJSGNPRLS-FYWLTHJESA-N. The full InChI is InChI=1S/C50H37N3/c1-34-14-12-20-40(36-26-28-37(29-27-36)50-51-45-22-9-11-24-48(45)52(50)39-17-6-3-7-18-39)41-21-13-25-47(44(41)32-34)53-46-23-10-8-19-42(46)43-31-30-38(33-49(43)53)35-15-4-2-5-16-35/h2-31,33,50-51H,1,32H2/b14-12-,40-20-.
What are the key properties of 9-[(7Z,9Z)-6-methylidene-10-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-5H-benzo[8]annulen-4-yl]-2-phenylcarbazole?
9-[(7Z,9Z)-6-methylidene-10-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-5H-benzo[8]annulen-4-yl]-2-phenylcarbazole has a molecular weight of 679.87 g/mol, XLogP of 12.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(7Z,9Z)-6-methylidene-10-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-5H-benzo[8]annulen-4-yl]-2-phenylcarbazole is sourced from PubChem (CID 170281725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).