N-methyl-N,9-diphenyl-6-propyl-5,6-dihydrocarbazol-3-amine

C28H28N2 — CID 70907077

IUPACN-methyl-N,9-diphenyl-6-propyl-5,6-dihydrocarbazol-3-amine
SMILESCCCC1C=Cc2c(c3cc(N(C)c4ccccc4)ccc3n2-c2ccccc2)C1
InChIInChI=1S/C28H28N2/c1-3-10-21-15-17-27-25(19-21)26-20-24(29(2)22-11-6-4-7-12-22)16-18-28(26)30(27)23-13-8-5-9-14-23/h4-9,11-18,20-21H,3,10,19H2,1-2H3
InChIKeyVMEDGKHIKUTAHS-UHFFFAOYSA-N
MW392.55 g/mol
LogP7.38
Rot. Bonds5

About N-methyl-N,9-diphenyl-6-propyl-5,6-dihydrocarbazol-3-amine

N-methyl-N,9-diphenyl-6-propyl-5,6-dihydrocarbazol-3-amine (PubChem CID 70907077) has the molecular formula C28H28N2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-methyl-N,9-diphenyl-6-propyl-5,6-dihydrocarbazol-3-amine.

Molecular Properties

Compound NameN-methyl-N,9-diphenyl-6-propyl-5,6-dihydrocarbazol-3-amine
PubChem CID70907077
Molecular FormulaC28H28N2
Molecular Weight392.55 g/mol
Exact Mass392.23
IUPAC NameN-methyl-N,9-diphenyl-6-propyl-5,6-dihydrocarbazol-3-amine
SMILESCCCC1C=Cc2c(c3cc(N(C)c4ccccc4)ccc3n2-c2ccccc2)C1
InChIInChI=1S/C28H28N2/c1-3-10-21-15-17-27-25(19-21)26-20-24(29(2)22-11-6-4-7-12-22)16-18-28(26)30(27)23-13-8-5-9-14-23/h4-9,11-18,20-21H,3,10,19H2,1-2H3
InChIKeyVMEDGKHIKUTAHS-UHFFFAOYSA-N
XLogP7.38
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(4-methylphenyl)-9-phenylcarbazol-3-amine
CID 58903567
9,9-dimethyl-N-[4-[(9-phenyl-3,4-dihydrocarbazol-3-yl)methyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 166906503
N,N-diphenyl-4-[3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazol-9-yl]aniline
CID 166696096
4-N-(6-tert-butyl-6-methyl-9-phenyl-5H-carbazol-3-yl)-4-N-(3-fluorophenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 143216469
N-methyl-N,9-diphenyl-6-(2-phenylphenyl)carbazol-3-amine;N-methyl-N,9-diphenyl-6-(3-phenylphenyl)carbazol-3-amine;N-methyl-N,9-diphenyl-6-(4-phenylphenyl)carbazol-3-amine
CID 160593768
3-carbazol-9-yl-N-methyl-N-phenylaniline
CID 59211086
N,6-dimethyl-N,9-diphenylcarbazol-3-amine;ethylbenzene;9-ethylcarbazole;9-ethyl-3-methylcarbazole
CID 144918431
4-benzo[a]carbazol-11-yl-N-methyl-N-phenylaniline;N-methyl-N,11-diphenylbenzo[a]carbazol-8-amine;N-methyl-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine
CID 162064475
N-methyl-N-phenyl-21-(3-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-amine
CID 126631361
N-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-N,9-diphenyl-5,6-dihydrocarbazol-3-amine
CID 70904528
1-N-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 91287445
N-methyl-N-phenyl-9-propan-2-yl-5,6-dihydrocarbazol-3-amine
CID 66656683

Frequently Asked Questions

What is the IUPAC name of N-methyl-N,9-diphenyl-6-propyl-5,6-dihydrocarbazol-3-amine?
The IUPAC name of N-methyl-N,9-diphenyl-6-propyl-5,6-dihydrocarbazol-3-amine (CID 70907077) is N-methyl-N,9-diphenyl-6-propyl-5,6-dihydrocarbazol-3-amine.
What is the SMILES notation for N-methyl-N,9-diphenyl-6-propyl-5,6-dihydrocarbazol-3-amine?
The canonical SMILES for N-methyl-N,9-diphenyl-6-propyl-5,6-dihydrocarbazol-3-amine is CCCC1C=Cc2c(c3cc(N(C)c4ccccc4)ccc3n2-c2ccccc2)C1.
What is the InChIKey of N-methyl-N,9-diphenyl-6-propyl-5,6-dihydrocarbazol-3-amine?
The InChIKey is VMEDGKHIKUTAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2/c1-3-10-21-15-17-27-25(19-21)26-20-24(29(2)22-11-6-4-7-12-22)16-18-28(26)30(27)23-13-8-5-9-14-23/h4-9,11-18,20-21H,3,10,19H2,1-2H3.
What are the key properties of N-methyl-N,9-diphenyl-6-propyl-5,6-dihydrocarbazol-3-amine?
N-methyl-N,9-diphenyl-6-propyl-5,6-dihydrocarbazol-3-amine has a molecular weight of 392.55 g/mol, XLogP of 7.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,9-diphenyl-6-propyl-5,6-dihydrocarbazol-3-amine is sourced from PubChem (CID 70907077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).