N,N,5-trimethyl-3-phenyl-10H-cyclohepta[b]indol-2-amine

C22H22N2 — CID 144597039

IUPACN,N,5-trimethyl-3-phenyl-10H-cyclohepta[b]indol-2-amine
SMILESCN(C)c1cc2c3c(n(C)c2cc1-c1ccccc1)C=CC=CC3
InChIInChI=1S/C22H22N2/c1-23(2)21-15-19-17-12-8-5-9-13-20(17)24(3)22(19)14-18(21)16-10-6-4-7-11-16/h4-11,13-15H,12H2,1-3H3
InChIKeyPWXMNVZYBJFTDM-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.04
Rot. Bonds2

About N,N,5-trimethyl-3-phenyl-10H-cyclohepta[b]indol-2-amine

N,N,5-trimethyl-3-phenyl-10H-cyclohepta[b]indol-2-amine (PubChem CID 144597039) has the molecular formula C22H22N2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N,N,5-trimethyl-3-phenyl-10H-cyclohepta[b]indol-2-amine.

Molecular Properties

Compound NameN,N,5-trimethyl-3-phenyl-10H-cyclohepta[b]indol-2-amine
PubChem CID144597039
Molecular FormulaC22H22N2
Molecular Weight314.43 g/mol
Exact Mass314.18
IUPAC NameN,N,5-trimethyl-3-phenyl-10H-cyclohepta[b]indol-2-amine
SMILESCN(C)c1cc2c3c(n(C)c2cc1-c1ccccc1)C=CC=CC3
InChIInChI=1S/C22H22N2/c1-23(2)21-15-19-17-12-8-5-9-13-20(17)24(3)22(19)14-18(21)16-10-6-4-7-11-16/h4-11,13-15H,12H2,1-3H3
InChIKeyPWXMNVZYBJFTDM-UHFFFAOYSA-N
XLogP5.04
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,9-dimethyl-N-(4-phenylphenyl)-5,6-dihydrocarbazol-3-amine
CID 149474002
5-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-10H-cyclohepta[b]indole
CID 144673812
2-methyl-1,3-diphenyl-4,7-dihydroisoindole
CID 10684561
azane;N,N-dimethyl-2-phenylaniline
CID 162317872
5,11-dibromo-10H-cyclohepta[b]naphthalene
CID 143834873
N-[4-(10H-cyclohepta[b][1]benzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 170061980
2,7-dimethoxy-9-methyl-3,6-diphenylcarbazole
CID 143239757
4-N,4-N-dimethyl-9H-benzo[7]annulene-1,4-diamine
CID 142183863
N-[4-(22-oxapentacyclo[12.8.0.02,11.03,8.015,21]docosa-1(14),2(11),3(8),4,6,9,12,15(21),17,19-decaen-6-yl)phenyl]-N,4-diphenylaniline
CID 144969519
5-methyl-1H-indeno[2,1-b]indole
CID 173141591
6-phenyl-7H-cyclohepta[c]quinoline
CID 139394582
N,N-dimethyl-2,3-diphenylaniline
CID 18930760

Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-3-phenyl-10H-cyclohepta[b]indol-2-amine?
The IUPAC name of N,N,5-trimethyl-3-phenyl-10H-cyclohepta[b]indol-2-amine (CID 144597039) is N,N,5-trimethyl-3-phenyl-10H-cyclohepta[b]indol-2-amine.
What is the SMILES notation for N,N,5-trimethyl-3-phenyl-10H-cyclohepta[b]indol-2-amine?
The canonical SMILES for N,N,5-trimethyl-3-phenyl-10H-cyclohepta[b]indol-2-amine is CN(C)c1cc2c3c(n(C)c2cc1-c1ccccc1)C=CC=CC3.
What is the InChIKey of N,N,5-trimethyl-3-phenyl-10H-cyclohepta[b]indol-2-amine?
The InChIKey is PWXMNVZYBJFTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2/c1-23(2)21-15-19-17-12-8-5-9-13-20(17)24(3)22(19)14-18(21)16-10-6-4-7-11-16/h4-11,13-15H,12H2,1-3H3.
What are the key properties of N,N,5-trimethyl-3-phenyl-10H-cyclohepta[b]indol-2-amine?
N,N,5-trimethyl-3-phenyl-10H-cyclohepta[b]indol-2-amine has a molecular weight of 314.43 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-3-phenyl-10H-cyclohepta[b]indol-2-amine is sourced from PubChem (CID 144597039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).