9-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-3-methylcarbazole

C24H21N — CID 144919572

IUPAC9-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-3-methylcarbazole
SMILESC=Cc1cccc(-n2c3ccccc3c3cc(C)ccc32)c1/C=C\C
InChIInChI=1S/C24H21N/c1-4-9-19-18(5-2)10-8-13-22(19)25-23-12-7-6-11-20(23)21-16-17(3)14-15-24(21)25/h4-16H,2H2,1,3H3/b9-4-
InChIKeyTWCRUDONSDVMKJ-WTKPLQERSA-N
MW323.44 g/mol
LogP6.77
Rot. Bonds3

About 9-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-3-methylcarbazole

9-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-3-methylcarbazole (PubChem CID 144919572) has the molecular formula C24H21N and a molecular weight of 323.44 g/mol. Its IUPAC name is 9-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-3-methylcarbazole.

Molecular Properties

Compound Name9-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-3-methylcarbazole
PubChem CID144919572
Molecular FormulaC24H21N
Molecular Weight323.44 g/mol
Exact Mass323.17
IUPAC Name9-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-3-methylcarbazole
SMILESC=Cc1cccc(-n2c3ccccc3c3cc(C)ccc32)c1/C=C\C
InChIInChI=1S/C24H21N/c1-4-9-19-18(5-2)10-8-13-22(19)25-23-12-7-6-11-20(23)21-16-17(3)14-15-24(21)25/h4-16H,2H2,1,3H3/b9-4-
InChIKeyTWCRUDONSDVMKJ-WTKPLQERSA-N
XLogP6.77
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-3-methylcarbazole?
The IUPAC name of 9-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-3-methylcarbazole (CID 144919572) is 9-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-3-methylcarbazole.
What is the SMILES notation for 9-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-3-methylcarbazole?
The canonical SMILES for 9-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-3-methylcarbazole is C=Cc1cccc(-n2c3ccccc3c3cc(C)ccc32)c1/C=C\C.
What is the InChIKey of 9-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-3-methylcarbazole?
The InChIKey is TWCRUDONSDVMKJ-WTKPLQERSA-N. The full InChI is InChI=1S/C24H21N/c1-4-9-19-18(5-2)10-8-13-22(19)25-23-12-7-6-11-20(23)21-16-17(3)14-15-24(21)25/h4-16H,2H2,1,3H3/b9-4-.
What are the key properties of 9-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-3-methylcarbazole?
9-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-3-methylcarbazole has a molecular weight of 323.44 g/mol, XLogP of 6.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-3-methylcarbazole is sourced from PubChem (CID 144919572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).