1-phenyl-N-[5-(9-phenylcarbazol-3-yl)-2-(1-phenylethenyl)-4-(4-phenylphenyl)phenyl]ethanimine

C52H38N2 — CID 134219490

IUPAC1-phenyl-N-[5-(9-phenylcarbazol-3-yl)-2-(1-phenylethenyl)-4-(4-phenylphenyl)phenyl]ethanimine
SMILESC=C(c1ccccc1)c1cc(-c2ccc(-c3ccccc3)cc2)c(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1/N=C(\C)c1ccccc1
InChIInChI=1S/C52H38N2/c1-36(38-17-7-3-8-18-38)46-34-47(42-29-27-41(28-30-42)40-21-11-5-12-22-40)48(35-50(46)53-37(2)39-19-9-4-10-20-39)43-31-32-52-49(33-43)45-25-15-16-26-51(45)54(52)44-23-13-6-14-24-44/h3-35H,1H2,2H3/b53-37+
InChIKeyMLVTYAKZGNIXNZ-SYIWMCMASA-N
MW690.89 g/mol
LogP13.99
Rot. Bonds8

About 1-phenyl-N-[5-(9-phenylcarbazol-3-yl)-2-(1-phenylethenyl)-4-(4-phenylphenyl)phenyl]ethanimine

1-phenyl-N-[5-(9-phenylcarbazol-3-yl)-2-(1-phenylethenyl)-4-(4-phenylphenyl)phenyl]ethanimine (PubChem CID 134219490) has the molecular formula C52H38N2 and a molecular weight of 690.89 g/mol. Its IUPAC name is 1-phenyl-N-[5-(9-phenylcarbazol-3-yl)-2-(1-phenylethenyl)-4-(4-phenylphenyl)phenyl]ethanimine.

Molecular Properties

Compound Name1-phenyl-N-[5-(9-phenylcarbazol-3-yl)-2-(1-phenylethenyl)-4-(4-phenylphenyl)phenyl]ethanimine
PubChem CID134219490
Molecular FormulaC52H38N2
Molecular Weight690.89 g/mol
Exact Mass690.30
IUPAC Name1-phenyl-N-[5-(9-phenylcarbazol-3-yl)-2-(1-phenylethenyl)-4-(4-phenylphenyl)phenyl]ethanimine
SMILESC=C(c1ccccc1)c1cc(-c2ccc(-c3ccccc3)cc2)c(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1/N=C(\C)c1ccccc1
InChIInChI=1S/C52H38N2/c1-36(38-17-7-3-8-18-38)46-34-47(42-29-27-41(28-30-42)40-21-11-5-12-22-40)48(35-50(46)53-37(2)39-19-9-4-10-20-39)43-31-32-52-49(33-43)45-25-15-16-26-51(45)54(52)44-23-13-6-14-24-44/h3-35H,1H2,2H3/b53-37+
InChIKeyMLVTYAKZGNIXNZ-SYIWMCMASA-N
XLogP13.99
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.89
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3,9-diphenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 90321526
9-phenyl-3-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[2-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
CID 160831831
3-[9-[3-(2,4-diphenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 144560233
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134236623
3-(4-methyl-2-phenylphenyl)-9-phenylcarbazole
CID 130412631
3-[10-(4,5-diphenylanthracen-9-yl)-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole
CID 155333594
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[5-(9-phenylcarbazol-3-yl)-2-(1-phenylethenyl)-4-(4-phenylphenyl)phenyl]ethanimine?
The IUPAC name of 1-phenyl-N-[5-(9-phenylcarbazol-3-yl)-2-(1-phenylethenyl)-4-(4-phenylphenyl)phenyl]ethanimine (CID 134219490) is 1-phenyl-N-[5-(9-phenylcarbazol-3-yl)-2-(1-phenylethenyl)-4-(4-phenylphenyl)phenyl]ethanimine.
What is the SMILES notation for 1-phenyl-N-[5-(9-phenylcarbazol-3-yl)-2-(1-phenylethenyl)-4-(4-phenylphenyl)phenyl]ethanimine?
The canonical SMILES for 1-phenyl-N-[5-(9-phenylcarbazol-3-yl)-2-(1-phenylethenyl)-4-(4-phenylphenyl)phenyl]ethanimine is C=C(c1ccccc1)c1cc(-c2ccc(-c3ccccc3)cc2)c(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1/N=C(\C)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[5-(9-phenylcarbazol-3-yl)-2-(1-phenylethenyl)-4-(4-phenylphenyl)phenyl]ethanimine?
The InChIKey is MLVTYAKZGNIXNZ-SYIWMCMASA-N. The full InChI is InChI=1S/C52H38N2/c1-36(38-17-7-3-8-18-38)46-34-47(42-29-27-41(28-30-42)40-21-11-5-12-22-40)48(35-50(46)53-37(2)39-19-9-4-10-20-39)43-31-32-52-49(33-43)45-25-15-16-26-51(45)54(52)44-23-13-6-14-24-44/h3-35H,1H2,2H3/b53-37+.
What are the key properties of 1-phenyl-N-[5-(9-phenylcarbazol-3-yl)-2-(1-phenylethenyl)-4-(4-phenylphenyl)phenyl]ethanimine?
1-phenyl-N-[5-(9-phenylcarbazol-3-yl)-2-(1-phenylethenyl)-4-(4-phenylphenyl)phenyl]ethanimine has a molecular weight of 690.89 g/mol, XLogP of 13.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[5-(9-phenylcarbazol-3-yl)-2-(1-phenylethenyl)-4-(4-phenylphenyl)phenyl]ethanimine is sourced from PubChem (CID 134219490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).