N,N-diphenyl-9H-carbazol-9-ium-3-amine

C24H19N2+ — CID 143420430

IUPACN,N-diphenyl-9H-carbazol-9-ium-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2[NH2+]3)cc1
InChIInChI=1S/C24H18N2/c1-3-9-18(10-4-1)26(19-11-5-2-6-12-19)20-15-16-24-22(17-20)21-13-7-8-14-23(21)25-24/h1-17,25H/p+1
InChIKeyYBGHXHSQISJNDM-UHFFFAOYSA-O
MW335.43 g/mol
LogP5.66
Rot. Bonds3

About N,N-diphenyl-9H-carbazol-9-ium-3-amine

N,N-diphenyl-9H-carbazol-9-ium-3-amine (PubChem CID 143420430) has the molecular formula C24H19N2+ and a molecular weight of 335.43 g/mol. Its IUPAC name is N,N-diphenyl-9H-carbazol-9-ium-3-amine.

Molecular Properties

Compound NameN,N-diphenyl-9H-carbazol-9-ium-3-amine
PubChem CID143420430
Molecular FormulaC24H19N2+
Molecular Weight335.43 g/mol
Exact Mass335.15
IUPAC NameN,N-diphenyl-9H-carbazol-9-ium-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2[NH2+]3)cc1
InChIInChI=1S/C24H18N2/c1-3-9-18(10-4-1)26(19-11-5-2-6-12-19)20-15-16-24-22(17-20)21-13-7-8-14-23(21)25-24/h1-17,25H/p+1
InChIKeyYBGHXHSQISJNDM-UHFFFAOYSA-O
XLogP5.66
TPSA19.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.43
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943769
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
N-[4-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenyltetraphenylen-2-amine
CID 137232562
N,N-diphenyl-4-[4-[3,6,7-tris[4-[4-(N-phenylanilino)phenyl]phenyl]biphenylen-2-yl]phenyl]aniline
CID 163604474
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(3-phenylphenyl)phenyl]phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 161496261
N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58729717

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-9H-carbazol-9-ium-3-amine?
The IUPAC name of N,N-diphenyl-9H-carbazol-9-ium-3-amine (CID 143420430) is N,N-diphenyl-9H-carbazol-9-ium-3-amine.
What is the SMILES notation for N,N-diphenyl-9H-carbazol-9-ium-3-amine?
The canonical SMILES for N,N-diphenyl-9H-carbazol-9-ium-3-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2[NH2+]3)cc1.
What is the InChIKey of N,N-diphenyl-9H-carbazol-9-ium-3-amine?
The InChIKey is YBGHXHSQISJNDM-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H18N2/c1-3-9-18(10-4-1)26(19-11-5-2-6-12-19)20-15-16-24-22(17-20)21-13-7-8-14-23(21)25-24/h1-17,25H/p+1.
What are the key properties of N,N-diphenyl-9H-carbazol-9-ium-3-amine?
N,N-diphenyl-9H-carbazol-9-ium-3-amine has a molecular weight of 335.43 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-9H-carbazol-9-ium-3-amine is sourced from PubChem (CID 143420430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).