9-[(3S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-3-methyl-3,4-dihydrocarbazole

C21H23N — CID 146532040

IUPAC9-[(3S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-3-methyl-3,4-dihydrocarbazole
SMILESCC1C=Cc2c(c3ccccc3n2C2=C[C@@H](C)C(C)C=C2)C1
InChIInChI=1S/C21H23N/c1-14-8-11-21-19(12-14)18-6-4-5-7-20(18)22(21)17-10-9-15(2)16(3)13-17/h4-11,13-16H,12H2,1-3H3/t14?,15?,16-/m1/s1
InChIKeyKEPXTMHLDXRXPQ-UYSNPLJNSA-N
MW289.42 g/mol
LogP5.53
Rot. Bonds1

About 9-[(3S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-3-methyl-3,4-dihydrocarbazole

9-[(3S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-3-methyl-3,4-dihydrocarbazole (PubChem CID 146532040) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 9-[(3S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-3-methyl-3,4-dihydrocarbazole.

Molecular Properties

Compound Name9-[(3S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-3-methyl-3,4-dihydrocarbazole
PubChem CID146532040
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name9-[(3S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-3-methyl-3,4-dihydrocarbazole
SMILESCC1C=Cc2c(c3ccccc3n2C2=C[C@@H](C)C(C)C=C2)C1
InChIInChI=1S/C21H23N/c1-14-8-11-21-19(12-14)18-6-4-5-7-20(18)22(21)17-10-9-15(2)16(3)13-17/h4-11,13-16H,12H2,1-3H3/t14?,15?,16-/m1/s1
InChIKeyKEPXTMHLDXRXPQ-UYSNPLJNSA-N
XLogP5.53
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(4-iodophenyl)-3-methyl-3,4-dihydrocarbazole
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3-methyl-3,4-dihydrocarbazol-9-amine
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9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole
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7-bromo-3-methyl-9-phenyl-3,4-dihydrocarbazole
CID 145280447
9-[4-[4-[9-[4-[4-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole
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3-carbazol-9-yl-5-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 163872016
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CID 129209891
3-methyl-9-[4-[4-(6-methyl-5,6-dihydropyrido[3,4-b]indol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-3,4-dihydropyrido[3,4-b]indole
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9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole
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9-[2-[2-[2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]phenyl]carbazole
CID 167285063
2-(9,9-dimethylfluoren-2-yl)-4-(3-methyl-3,4-dihydrocarbazol-9-yl)aniline
CID 118507114
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Frequently Asked Questions

What is the IUPAC name of 9-[(3S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-3-methyl-3,4-dihydrocarbazole?
The IUPAC name of 9-[(3S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-3-methyl-3,4-dihydrocarbazole (CID 146532040) is 9-[(3S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-3-methyl-3,4-dihydrocarbazole.
What is the SMILES notation for 9-[(3S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-3-methyl-3,4-dihydrocarbazole?
The canonical SMILES for 9-[(3S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-3-methyl-3,4-dihydrocarbazole is CC1C=Cc2c(c3ccccc3n2C2=C[C@@H](C)C(C)C=C2)C1.
What is the InChIKey of 9-[(3S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-3-methyl-3,4-dihydrocarbazole?
The InChIKey is KEPXTMHLDXRXPQ-UYSNPLJNSA-N. The full InChI is InChI=1S/C21H23N/c1-14-8-11-21-19(12-14)18-6-4-5-7-20(18)22(21)17-10-9-15(2)16(3)13-17/h4-11,13-16H,12H2,1-3H3/t14?,15?,16-/m1/s1.
What are the key properties of 9-[(3S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-3-methyl-3,4-dihydrocarbazole?
9-[(3S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-3-methyl-3,4-dihydrocarbazole has a molecular weight of 289.42 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-3-methyl-3,4-dihydrocarbazole is sourced from PubChem (CID 146532040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).