2,9-dimethyl-3,7-diphenyl-1,2-dihydrocarbazole

C26H23N — CID 139470456

IUPAC2,9-dimethyl-3,7-diphenyl-1,2-dihydrocarbazole
SMILESCC1Cc2c(c3ccc(-c4ccccc4)cc3n2C)C=C1c1ccccc1
InChIInChI=1S/C26H23N/c1-18-15-25-24(17-23(18)20-11-7-4-8-12-20)22-14-13-21(16-26(22)27(25)2)19-9-5-3-6-10-19/h3-14,16-18H,15H2,1-2H3
InChIKeyHYJVSLARURJFBA-UHFFFAOYSA-N
MW349.48 g/mol
LogP6.58
Rot. Bonds2

About 2,9-dimethyl-3,7-diphenyl-1,2-dihydrocarbazole

2,9-dimethyl-3,7-diphenyl-1,2-dihydrocarbazole (PubChem CID 139470456) has the molecular formula C26H23N and a molecular weight of 349.48 g/mol. Its IUPAC name is 2,9-dimethyl-3,7-diphenyl-1,2-dihydrocarbazole.

Molecular Properties

Compound Name2,9-dimethyl-3,7-diphenyl-1,2-dihydrocarbazole
PubChem CID139470456
Molecular FormulaC26H23N
Molecular Weight349.48 g/mol
Exact Mass349.18
IUPAC Name2,9-dimethyl-3,7-diphenyl-1,2-dihydrocarbazole
SMILESCC1Cc2c(c3ccc(-c4ccccc4)cc3n2C)C=C1c1ccccc1
InChIInChI=1S/C26H23N/c1-18-15-25-24(17-23(18)20-11-7-4-8-12-20)22-14-13-21(16-26(22)27(25)2)19-9-5-3-6-10-19/h3-14,16-18H,15H2,1-2H3
InChIKeyHYJVSLARURJFBA-UHFFFAOYSA-N
XLogP6.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-3,7-diphenyl-1,2-dihydrocarbazole?
The IUPAC name of 2,9-dimethyl-3,7-diphenyl-1,2-dihydrocarbazole (CID 139470456) is 2,9-dimethyl-3,7-diphenyl-1,2-dihydrocarbazole.
What is the SMILES notation for 2,9-dimethyl-3,7-diphenyl-1,2-dihydrocarbazole?
The canonical SMILES for 2,9-dimethyl-3,7-diphenyl-1,2-dihydrocarbazole is CC1Cc2c(c3ccc(-c4ccccc4)cc3n2C)C=C1c1ccccc1.
What is the InChIKey of 2,9-dimethyl-3,7-diphenyl-1,2-dihydrocarbazole?
The InChIKey is HYJVSLARURJFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N/c1-18-15-25-24(17-23(18)20-11-7-4-8-12-20)22-14-13-21(16-26(22)27(25)2)19-9-5-3-6-10-19/h3-14,16-18H,15H2,1-2H3.
What are the key properties of 2,9-dimethyl-3,7-diphenyl-1,2-dihydrocarbazole?
2,9-dimethyl-3,7-diphenyl-1,2-dihydrocarbazole has a molecular weight of 349.48 g/mol, XLogP of 6.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-3,7-diphenyl-1,2-dihydrocarbazole is sourced from PubChem (CID 139470456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).