9-[2-[2-[(Z)-but-1-enyl]-3-ethenylindol-1-yl]phenyl]-6-methyl-2,3-dihydrocarbazole

C33H30N2 — CID 89208742

IUPAC9-[2-[2-[(Z)-but-1-enyl]-3-ethenylindol-1-yl]phenyl]-6-methyl-2,3-dihydrocarbazole
SMILESC=Cc1c(/C=C\CC)n(-c2ccccc2-n2c3c(c4cc(C)ccc42)=CCCC=3)c2ccccc12
InChIInChI=1S/C33H30N2/c1-4-6-15-28-24(5-2)25-13-7-9-16-29(25)34(28)32-18-11-12-19-33(32)35-30-17-10-8-14-26(30)27-22-23(3)20-21-31(27)35/h5-7,9,11-22H,2,4,8,10H2,1,3H3/b15-6-
InChIKeyXPSYCFRTCAXNBM-UUASQNMZSA-N
MW454.62 g/mol
LogP7.30
Rot. Bonds5

About 9-[2-[2-[(Z)-but-1-enyl]-3-ethenylindol-1-yl]phenyl]-6-methyl-2,3-dihydrocarbazole

9-[2-[2-[(Z)-but-1-enyl]-3-ethenylindol-1-yl]phenyl]-6-methyl-2,3-dihydrocarbazole (PubChem CID 89208742) has the molecular formula C33H30N2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 9-[2-[2-[(Z)-but-1-enyl]-3-ethenylindol-1-yl]phenyl]-6-methyl-2,3-dihydrocarbazole.

Molecular Properties

Compound Name9-[2-[2-[(Z)-but-1-enyl]-3-ethenylindol-1-yl]phenyl]-6-methyl-2,3-dihydrocarbazole
PubChem CID89208742
Molecular FormulaC33H30N2
Molecular Weight454.62 g/mol
Exact Mass454.24
IUPAC Name9-[2-[2-[(Z)-but-1-enyl]-3-ethenylindol-1-yl]phenyl]-6-methyl-2,3-dihydrocarbazole
SMILESC=Cc1c(/C=C\CC)n(-c2ccccc2-n2c3c(c4cc(C)ccc42)=CCCC=3)c2ccccc12
InChIInChI=1S/C33H30N2/c1-4-6-15-28-24(5-2)25-13-7-9-16-29(25)34(28)32-18-11-12-19-33(32)35-30-17-10-8-14-26(30)27-22-23(3)20-21-31(27)35/h5-7,9,11-22H,2,4,8,10H2,1,3H3/b15-6-
InChIKeyXPSYCFRTCAXNBM-UUASQNMZSA-N
XLogP7.30
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.62
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-[(Z)-but-1-enyl]-3-ethenylindol-1-yl]phenyl]-6-methyl-2,3-dihydrocarbazole?
The IUPAC name of 9-[2-[2-[(Z)-but-1-enyl]-3-ethenylindol-1-yl]phenyl]-6-methyl-2,3-dihydrocarbazole (CID 89208742) is 9-[2-[2-[(Z)-but-1-enyl]-3-ethenylindol-1-yl]phenyl]-6-methyl-2,3-dihydrocarbazole.
What is the SMILES notation for 9-[2-[2-[(Z)-but-1-enyl]-3-ethenylindol-1-yl]phenyl]-6-methyl-2,3-dihydrocarbazole?
The canonical SMILES for 9-[2-[2-[(Z)-but-1-enyl]-3-ethenylindol-1-yl]phenyl]-6-methyl-2,3-dihydrocarbazole is C=Cc1c(/C=C\CC)n(-c2ccccc2-n2c3c(c4cc(C)ccc42)=CCCC=3)c2ccccc12.
What is the InChIKey of 9-[2-[2-[(Z)-but-1-enyl]-3-ethenylindol-1-yl]phenyl]-6-methyl-2,3-dihydrocarbazole?
The InChIKey is XPSYCFRTCAXNBM-UUASQNMZSA-N. The full InChI is InChI=1S/C33H30N2/c1-4-6-15-28-24(5-2)25-13-7-9-16-29(25)34(28)32-18-11-12-19-33(32)35-30-17-10-8-14-26(30)27-22-23(3)20-21-31(27)35/h5-7,9,11-22H,2,4,8,10H2,1,3H3/b15-6-.
What are the key properties of 9-[2-[2-[(Z)-but-1-enyl]-3-ethenylindol-1-yl]phenyl]-6-methyl-2,3-dihydrocarbazole?
9-[2-[2-[(Z)-but-1-enyl]-3-ethenylindol-1-yl]phenyl]-6-methyl-2,3-dihydrocarbazole has a molecular weight of 454.62 g/mol, XLogP of 7.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2-[(Z)-but-1-enyl]-3-ethenylindol-1-yl]phenyl]-6-methyl-2,3-dihydrocarbazole is sourced from PubChem (CID 89208742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).