1-phenyl-N-[(Z)-3-phenyl-1-[9-(4-phenylphenyl)carbazol-3-yl]but-1-enyl]ethanimine

C42H34N2 — CID 144542320

IUPAC1-phenyl-N-[(Z)-3-phenyl-1-[9-(4-phenylphenyl)carbazol-3-yl]but-1-enyl]ethanimine
SMILESC/C(=N\C(=C/C(C)c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C42H34N2/c1-30(32-14-6-3-7-15-32)28-40(43-31(2)33-16-8-4-9-17-33)36-24-27-42-39(29-36)38-20-12-13-21-41(38)44(42)37-25-22-35(23-26-37)34-18-10-5-11-19-34/h3-30H,1-2H3/b40-28-,43-31+
InChIKeyOXBNIOHWSVAYBE-RSDDBJEJSA-N
MW566.75 g/mol
LogP11.10
Rot. Bonds7

About 1-phenyl-N-[(Z)-3-phenyl-1-[9-(4-phenylphenyl)carbazol-3-yl]but-1-enyl]ethanimine

1-phenyl-N-[(Z)-3-phenyl-1-[9-(4-phenylphenyl)carbazol-3-yl]but-1-enyl]ethanimine (PubChem CID 144542320) has the molecular formula C42H34N2 and a molecular weight of 566.75 g/mol. Its IUPAC name is 1-phenyl-N-[(Z)-3-phenyl-1-[9-(4-phenylphenyl)carbazol-3-yl]but-1-enyl]ethanimine.

Molecular Properties

Compound Name1-phenyl-N-[(Z)-3-phenyl-1-[9-(4-phenylphenyl)carbazol-3-yl]but-1-enyl]ethanimine
PubChem CID144542320
Molecular FormulaC42H34N2
Molecular Weight566.75 g/mol
Exact Mass566.27
IUPAC Name1-phenyl-N-[(Z)-3-phenyl-1-[9-(4-phenylphenyl)carbazol-3-yl]but-1-enyl]ethanimine
SMILESC/C(=N\C(=C/C(C)c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C42H34N2/c1-30(32-14-6-3-7-15-32)28-40(43-31(2)33-16-8-4-9-17-33)36-24-27-42-39(29-36)38-20-12-13-21-41(38)44(42)37-25-22-35(23-26-37)34-18-10-5-11-19-34/h3-30H,1-2H3/b40-28-,43-31+
InChIKeyOXBNIOHWSVAYBE-RSDDBJEJSA-N
XLogP11.10
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.75
LogP ≤ 511.10
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

1-[4-(15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaen-7-yl)phenyl]-N-[(Z)-1,3-diphenylbut-1-enyl]ethanimine
CID 145018349
N'-[(Z)-1,3-bis(3-phenylphenyl)but-1-enyl]-12-phenylindolo[3,2-c]carbazole-5-carboximidamide
CID 163763691
N-[1-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-4-(4-phenylphenyl)penta-1,4-dienyl]-1-(4-phenylphenyl)ethanimine
CID 123746093
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
9-[(2E,4E)-4,6-diphenylhepta-2,4-dien-2-yl]-3-(4,6-diphenylpyrimidin-2-yl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 144573691
9-[(2E,4E)-4,6-diphenylhepta-2,4-dien-2-yl]-3-(4,6-diphenylpyrimidin-2-yl)-6-(9-phenylcarbazol-3-yl)carbazole;ethane
CID 144573690
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-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(Z)-3-phenyl-1-[9-(4-phenylphenyl)carbazol-3-yl]but-1-enyl]ethanimine?
The IUPAC name of 1-phenyl-N-[(Z)-3-phenyl-1-[9-(4-phenylphenyl)carbazol-3-yl]but-1-enyl]ethanimine (CID 144542320) is 1-phenyl-N-[(Z)-3-phenyl-1-[9-(4-phenylphenyl)carbazol-3-yl]but-1-enyl]ethanimine.
What is the SMILES notation for 1-phenyl-N-[(Z)-3-phenyl-1-[9-(4-phenylphenyl)carbazol-3-yl]but-1-enyl]ethanimine?
The canonical SMILES for 1-phenyl-N-[(Z)-3-phenyl-1-[9-(4-phenylphenyl)carbazol-3-yl]but-1-enyl]ethanimine is C/C(=N\C(=C/C(C)c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(Z)-3-phenyl-1-[9-(4-phenylphenyl)carbazol-3-yl]but-1-enyl]ethanimine?
The InChIKey is OXBNIOHWSVAYBE-RSDDBJEJSA-N. The full InChI is InChI=1S/C42H34N2/c1-30(32-14-6-3-7-15-32)28-40(43-31(2)33-16-8-4-9-17-33)36-24-27-42-39(29-36)38-20-12-13-21-41(38)44(42)37-25-22-35(23-26-37)34-18-10-5-11-19-34/h3-30H,1-2H3/b40-28-,43-31+.
What are the key properties of 1-phenyl-N-[(Z)-3-phenyl-1-[9-(4-phenylphenyl)carbazol-3-yl]but-1-enyl]ethanimine?
1-phenyl-N-[(Z)-3-phenyl-1-[9-(4-phenylphenyl)carbazol-3-yl]but-1-enyl]ethanimine has a molecular weight of 566.75 g/mol, XLogP of 11.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(Z)-3-phenyl-1-[9-(4-phenylphenyl)carbazol-3-yl]but-1-enyl]ethanimine is sourced from PubChem (CID 144542320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).