9-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-5-methyl-2-(3-methylphenyl)phenyl]carbazol-2-amine

C39H33N3 — CID 142501841

IUPAC9-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-5-methyl-2-(3-methylphenyl)phenyl]carbazol-2-amine
SMILESC=Cc1c(/C=C\C)n(-c2cc(-c3cccc(C)c3)c(-n3c4ccccc4c4ccc(N)cc43)cc2C)c2ccccc12
InChIInChI=1S/C39H33N3/c1-5-12-34-29(6-2)30-15-7-9-17-35(30)41(34)37-24-33(27-14-11-13-25(3)21-27)38(22-26(37)4)42-36-18-10-8-16-31(36)32-20-19-28(40)23-39(32)42/h5-24H,2,40H2,1,3-4H3/b12-5-
InChIKeyYTZZIJHDMFYVOS-XGICHPGQSA-N
MW543.71 g/mol
LogP10.27
Rot. Bonds5

About 9-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-5-methyl-2-(3-methylphenyl)phenyl]carbazol-2-amine

9-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-5-methyl-2-(3-methylphenyl)phenyl]carbazol-2-amine (PubChem CID 142501841) has the molecular formula C39H33N3 and a molecular weight of 543.71 g/mol. Its IUPAC name is 9-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-5-methyl-2-(3-methylphenyl)phenyl]carbazol-2-amine.

Molecular Properties

Compound Name9-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-5-methyl-2-(3-methylphenyl)phenyl]carbazol-2-amine
PubChem CID142501841
Molecular FormulaC39H33N3
Molecular Weight543.71 g/mol
Exact Mass543.27
IUPAC Name9-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-5-methyl-2-(3-methylphenyl)phenyl]carbazol-2-amine
SMILESC=Cc1c(/C=C\C)n(-c2cc(-c3cccc(C)c3)c(-n3c4ccccc4c4ccc(N)cc43)cc2C)c2ccccc12
InChIInChI=1S/C39H33N3/c1-5-12-34-29(6-2)30-15-7-9-17-35(30)41(34)37-24-33(27-14-11-13-25(3)21-27)38(22-26(37)4)42-36-18-10-8-16-31(36)32-20-19-28(40)23-39(32)42/h5-24H,2,40H2,1,3-4H3/b12-5-
InChIKeyYTZZIJHDMFYVOS-XGICHPGQSA-N
XLogP10.27
TPSA35.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.71
LogP ≤ 510.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-(4-carbazol-9-yl-2-methyl-5-phenylphenyl)carbazole
CID 118944224
9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole
CID 174303299
9-[4-[2-cyano-5-[2-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155085788
4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-9-methylcarbazole
CID 134240129
9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]carbazole
CID 155283440
9-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-3-methylcarbazole
CID 144919572
2-ethenyl-1-(5-ethyl-2-methylphenyl)-3-[(Z)-prop-1-enyl]indole
CID 142430269
2-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile
CID 135160706
9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole
CID 89315996
9-(4-methyl-2,5-diphenylphenyl)carbazole
CID 167659525
3-ethenyl-10-phenyl-1-[4-phenyl-6-[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 167157398
5,11-dinaphthalen-1-ylindolo[3,2-b]carbazol-3-amine
CID 59742334

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-5-methyl-2-(3-methylphenyl)phenyl]carbazol-2-amine?
The IUPAC name of 9-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-5-methyl-2-(3-methylphenyl)phenyl]carbazol-2-amine (CID 142501841) is 9-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-5-methyl-2-(3-methylphenyl)phenyl]carbazol-2-amine.
What is the SMILES notation for 9-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-5-methyl-2-(3-methylphenyl)phenyl]carbazol-2-amine?
The canonical SMILES for 9-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-5-methyl-2-(3-methylphenyl)phenyl]carbazol-2-amine is C=Cc1c(/C=C\C)n(-c2cc(-c3cccc(C)c3)c(-n3c4ccccc4c4ccc(N)cc43)cc2C)c2ccccc12.
What is the InChIKey of 9-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-5-methyl-2-(3-methylphenyl)phenyl]carbazol-2-amine?
The InChIKey is YTZZIJHDMFYVOS-XGICHPGQSA-N. The full InChI is InChI=1S/C39H33N3/c1-5-12-34-29(6-2)30-15-7-9-17-35(30)41(34)37-24-33(27-14-11-13-25(3)21-27)38(22-26(37)4)42-36-18-10-8-16-31(36)32-20-19-28(40)23-39(32)42/h5-24H,2,40H2,1,3-4H3/b12-5-.
What are the key properties of 9-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-5-methyl-2-(3-methylphenyl)phenyl]carbazol-2-amine?
9-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-5-methyl-2-(3-methylphenyl)phenyl]carbazol-2-amine has a molecular weight of 543.71 g/mol, XLogP of 10.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-5-methyl-2-(3-methylphenyl)phenyl]carbazol-2-amine is sourced from PubChem (CID 142501841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).