N,N-diphenyl-9H-pyrido[3,4-b]indol-6-amine

C23H17N3 — CID 167339450

IUPACN,N-diphenyl-9H-pyrido[3,4-b]indol-6-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3[nH]c4cnccc4c3c2)cc1
InChIInChI=1S/C23H17N3/c1-3-7-17(8-4-1)26(18-9-5-2-6-10-18)19-11-12-22-21(15-19)20-13-14-24-16-23(20)25-22/h1-16,25H
InChIKeyNVMFXMWPMFNWPH-UHFFFAOYSA-N
MW335.41 g/mol
LogP6.19
Rot. Bonds3

About N,N-diphenyl-9H-pyrido[3,4-b]indol-6-amine

N,N-diphenyl-9H-pyrido[3,4-b]indol-6-amine (PubChem CID 167339450) has the molecular formula C23H17N3 and a molecular weight of 335.41 g/mol. Its IUPAC name is N,N-diphenyl-9H-pyrido[3,4-b]indol-6-amine.

Molecular Properties

Compound NameN,N-diphenyl-9H-pyrido[3,4-b]indol-6-amine
PubChem CID167339450
Molecular FormulaC23H17N3
Molecular Weight335.41 g/mol
Exact Mass335.14
IUPAC NameN,N-diphenyl-9H-pyrido[3,4-b]indol-6-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3[nH]c4cnccc4c3c2)cc1
InChIInChI=1S/C23H17N3/c1-3-7-17(8-4-1)26(18-9-5-2-6-10-18)19-11-12-22-21(15-19)20-13-14-24-16-23(20)25-22/h1-16,25H
InChIKeyNVMFXMWPMFNWPH-UHFFFAOYSA-N
XLogP6.19
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-phenyl-9H-pyrido[3,4-b]indole
CID 122607643
9H-carbazole;N,N-diphenylaniline;pyridine
CID 175394994
N,N-diphenylbenzo[h]isoquinolin-9-amine
CID 135257398
9H-carbazole;bis(N,N-diphenylaniline)
CID 174838898
4-(9H-carbazol-3-yl)-N,N-diphenylaniline;ethane
CID 144639434
6,7-dimethyl-N-phenyl-N-(4-phenylphenyl)-9H-carbazol-3-amine
CID 143420423
3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9H-carbazole-3,6-diamine
CID 58925352
9H-pyrido[3,4-b]indole-6-carbaldehyde
CID 18671949
N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-c]pyridin-6-amine
CID 166860561
1-(9H-pyrido[3,4-b]indol-6-yl)cyclopropane-1-carboxylic acid
CID 117383621
bromoethane;4-(9H-carbazol-3-yl)-N,N-diphenylaniline
CID 144639430
N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-4-propylaniline
CID 59306714

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-9H-pyrido[3,4-b]indol-6-amine?
The IUPAC name of N,N-diphenyl-9H-pyrido[3,4-b]indol-6-amine (CID 167339450) is N,N-diphenyl-9H-pyrido[3,4-b]indol-6-amine.
What is the SMILES notation for N,N-diphenyl-9H-pyrido[3,4-b]indol-6-amine?
The canonical SMILES for N,N-diphenyl-9H-pyrido[3,4-b]indol-6-amine is c1ccc(N(c2ccccc2)c2ccc3[nH]c4cnccc4c3c2)cc1.
What is the InChIKey of N,N-diphenyl-9H-pyrido[3,4-b]indol-6-amine?
The InChIKey is NVMFXMWPMFNWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3/c1-3-7-17(8-4-1)26(18-9-5-2-6-10-18)19-11-12-22-21(15-19)20-13-14-24-16-23(20)25-22/h1-16,25H.
What are the key properties of N,N-diphenyl-9H-pyrido[3,4-b]indol-6-amine?
N,N-diphenyl-9H-pyrido[3,4-b]indol-6-amine has a molecular weight of 335.41 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-9H-pyrido[3,4-b]indol-6-amine is sourced from PubChem (CID 167339450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).