9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole

C37H28N2 — CID 89315996

IUPAC9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole
SMILESC=Cc1c(/C=C\C)c2ccccc2n1-c1cccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C37H28N2/c1-3-13-30-31-18-5-8-21-35(31)38(34(30)4-2)28-16-11-14-26(24-28)27-15-12-17-29(25-27)39-36-22-9-6-19-32(36)33-20-7-10-23-37(33)39/h3-25H,2H2,1H3/b13-3-
InChIKeySGXFPHGATGASID-DXNYSGJVSA-N
MW500.65 g/mol
LogP10.07
Rot. Bonds5

About 9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole

9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole (PubChem CID 89315996) has the molecular formula C37H28N2 and a molecular weight of 500.65 g/mol. Its IUPAC name is 9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole
PubChem CID89315996
Molecular FormulaC37H28N2
Molecular Weight500.65 g/mol
Exact Mass500.23
IUPAC Name9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole
SMILESC=Cc1c(/C=C\C)c2ccccc2n1-c1cccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C37H28N2/c1-3-13-30-31-18-5-8-21-35(31)38(34(30)4-2)28-16-11-14-26(24-28)27-15-12-17-29(25-27)39-36-22-9-6-19-32(36)33-20-7-10-23-37(33)39/h3-25H,2H2,1H3/b13-3-
InChIKeySGXFPHGATGASID-DXNYSGJVSA-N
XLogP10.07
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.65
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenyl-9-phenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-b]carbazole
CID 138534156
ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
CID 176690298
3-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile
CID 144604962
9-(3,5-dibromophenyl)-3-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]carbazole
CID 145163222
3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole
CID 177063540
9-[3-cyano-2-[3-[3-[5-cyano-2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155086269
9-[6-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole
CID 144585554
N-[4-[4-(N-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-9-phenylcarbazol-3-amine
CID 130309344
2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 138736833
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
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
[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]boronic acid
CID 167453480

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole (CID 89315996) is 9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole is C=Cc1c(/C=C\C)c2ccccc2n1-c1cccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of 9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole?
The InChIKey is SGXFPHGATGASID-DXNYSGJVSA-N. The full InChI is InChI=1S/C37H28N2/c1-3-13-30-31-18-5-8-21-35(31)38(34(30)4-2)28-16-11-14-26(24-28)27-15-12-17-29(25-27)39-36-22-9-6-19-32(36)33-20-7-10-23-37(33)39/h3-25H,2H2,1H3/b13-3-.
What are the key properties of 9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole?
9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole has a molecular weight of 500.65 g/mol, XLogP of 10.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 89315996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).