5-(4-carbazol-9-ylphenyl)-7-ethenyl-12-phenyl-6-[(Z)-prop-1-enyl]indolo[3,2-d][1]benzazepine

C45H33N3 — CID 145004173

IUPAC5-(4-carbazol-9-ylphenyl)-7-ethenyl-12-phenyl-6-[(Z)-prop-1-enyl]indolo[3,2-d][1]benzazepine
SMILESC=CC1=C(/C=C\C)N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccccc2-c2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C45H33N3/c1-3-16-39-34(4-2)44-37-21-10-14-25-42(37)48(31-17-6-5-7-18-31)45(44)38-22-11-15-26-43(38)46(39)32-27-29-33(30-28-32)47-40-23-12-8-19-35(40)36-20-9-13-24-41(36)47/h3-30H,2H2,1H3/b16-3-
InChIKeyXSKVZLXYKCTQJF-XFQLMFQHSA-N
MW615.78 g/mol
LogP12.02
Rot. Bonds5

About 5-(4-carbazol-9-ylphenyl)-7-ethenyl-12-phenyl-6-[(Z)-prop-1-enyl]indolo[3,2-d][1]benzazepine

5-(4-carbazol-9-ylphenyl)-7-ethenyl-12-phenyl-6-[(Z)-prop-1-enyl]indolo[3,2-d][1]benzazepine (PubChem CID 145004173) has the molecular formula C45H33N3 and a molecular weight of 615.78 g/mol. Its IUPAC name is 5-(4-carbazol-9-ylphenyl)-7-ethenyl-12-phenyl-6-[(Z)-prop-1-enyl]indolo[3,2-d][1]benzazepine.

Molecular Properties

Compound Name5-(4-carbazol-9-ylphenyl)-7-ethenyl-12-phenyl-6-[(Z)-prop-1-enyl]indolo[3,2-d][1]benzazepine
PubChem CID145004173
Molecular FormulaC45H33N3
Molecular Weight615.78 g/mol
Exact Mass615.27
IUPAC Name5-(4-carbazol-9-ylphenyl)-7-ethenyl-12-phenyl-6-[(Z)-prop-1-enyl]indolo[3,2-d][1]benzazepine
SMILESC=CC1=C(/C=C\C)N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccccc2-c2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C45H33N3/c1-3-16-39-34(4-2)44-37-21-10-14-25-42(37)48(31-17-6-5-7-18-31)45(44)38-22-11-15-26-43(38)46(39)32-27-29-33(30-28-32)47-40-23-12-8-19-35(40)36-20-9-13-24-41(36)47/h3-30H,2H2,1H3/b16-3-
InChIKeyXSKVZLXYKCTQJF-XFQLMFQHSA-N
XLogP12.02
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.78
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(4-carbazol-9-ylphenyl)-7-ethenyl-12-phenyl-6-[(Z)-prop-1-enyl]indolo[3,2-d][1]benzazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

22-[3-[7-ethenyl-12-phenyl-6-[(Z)-prop-1-enyl]indolo[3,2-d][1]benzazepin-5-yl]phenyl]-8-phenyl-8,18,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene
CID 145004207
methylphosphane;8-phenyl-22-[4-[4-(8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 145004152
2-ethenyl-1,4-diphenyl-3-[(Z)-prop-1-enyl]quinoxaline
CID 142288460
8-[3-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 145004235
9-[4-[(E)-prop-1-enyl]phenyl]carbazole
CID 58370912
8-[4-(4-carbazol-9-ylphenyl)phenyl]-17-fluoro-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene
CID 118685529
(8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)-trimethylsilane
CID 140880032
4-ethenyl-9-methyl-3,13-diphenyl-5-[(Z)-prop-1-enyl]-3,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene
CID 145322278
14,24-diphenyl-14,24-diazahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene
CID 118216147
2-[(1Z)-buta-1,3-dienyl]-1-(3-carbazol-9-ylphenyl)-3-ethenyl-5-[2-[(E)-prop-1-enyl]phenyl]benzo[de]quinoline
CID 144995257
8-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 118685472
3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole
CID 177063540

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbazol-9-ylphenyl)-7-ethenyl-12-phenyl-6-[(Z)-prop-1-enyl]indolo[3,2-d][1]benzazepine?
The IUPAC name of 5-(4-carbazol-9-ylphenyl)-7-ethenyl-12-phenyl-6-[(Z)-prop-1-enyl]indolo[3,2-d][1]benzazepine (CID 145004173) is 5-(4-carbazol-9-ylphenyl)-7-ethenyl-12-phenyl-6-[(Z)-prop-1-enyl]indolo[3,2-d][1]benzazepine.
What is the SMILES notation for 5-(4-carbazol-9-ylphenyl)-7-ethenyl-12-phenyl-6-[(Z)-prop-1-enyl]indolo[3,2-d][1]benzazepine?
The canonical SMILES for 5-(4-carbazol-9-ylphenyl)-7-ethenyl-12-phenyl-6-[(Z)-prop-1-enyl]indolo[3,2-d][1]benzazepine is C=CC1=C(/C=C\C)N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccccc2-c2c1c1ccccc1n2-c1ccccc1.
What is the InChIKey of 5-(4-carbazol-9-ylphenyl)-7-ethenyl-12-phenyl-6-[(Z)-prop-1-enyl]indolo[3,2-d][1]benzazepine?
The InChIKey is XSKVZLXYKCTQJF-XFQLMFQHSA-N. The full InChI is InChI=1S/C45H33N3/c1-3-16-39-34(4-2)44-37-21-10-14-25-42(37)48(31-17-6-5-7-18-31)45(44)38-22-11-15-26-43(38)46(39)32-27-29-33(30-28-32)47-40-23-12-8-19-35(40)36-20-9-13-24-41(36)47/h3-30H,2H2,1H3/b16-3-.
What are the key properties of 5-(4-carbazol-9-ylphenyl)-7-ethenyl-12-phenyl-6-[(Z)-prop-1-enyl]indolo[3,2-d][1]benzazepine?
5-(4-carbazol-9-ylphenyl)-7-ethenyl-12-phenyl-6-[(Z)-prop-1-enyl]indolo[3,2-d][1]benzazepine has a molecular weight of 615.78 g/mol, XLogP of 12.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbazol-9-ylphenyl)-7-ethenyl-12-phenyl-6-[(Z)-prop-1-enyl]indolo[3,2-d][1]benzazepine is sourced from PubChem (CID 145004173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).