1-N-(4-aminophenyl)-1-N-phenyl-9H-carbazole-1,4-diamine

C24H20N4 — CID 57266004

IUPAC1-N-(4-aminophenyl)-1-N-phenyl-9H-carbazole-1,4-diamine
SMILESNc1ccc(N(c2ccccc2)c2ccc(N)c3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C24H20N4/c25-16-10-12-18(13-11-16)28(17-6-2-1-3-7-17)22-15-14-20(26)23-19-8-4-5-9-21(19)27-24(22)23/h1-15,27H,25-26H2
InChIKeyCQRPSVJZXLJXKR-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.96
Rot. Bonds3

About 1-N-(4-aminophenyl)-1-N-phenyl-9H-carbazole-1,4-diamine

1-N-(4-aminophenyl)-1-N-phenyl-9H-carbazole-1,4-diamine (PubChem CID 57266004) has the molecular formula C24H20N4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-N-(4-aminophenyl)-1-N-phenyl-9H-carbazole-1,4-diamine.

Molecular Properties

Compound Name1-N-(4-aminophenyl)-1-N-phenyl-9H-carbazole-1,4-diamine
PubChem CID57266004
Molecular FormulaC24H20N4
Molecular Weight364.45 g/mol
Exact Mass364.17
IUPAC Name1-N-(4-aminophenyl)-1-N-phenyl-9H-carbazole-1,4-diamine
SMILESNc1ccc(N(c2ccccc2)c2ccc(N)c3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C24H20N4/c25-16-10-12-18(13-11-16)28(17-6-2-1-3-7-17)22-15-14-20(26)23-19-8-4-5-9-21(19)27-24(22)23/h1-15,27H,25-26H2
InChIKeyCQRPSVJZXLJXKR-UHFFFAOYSA-N
XLogP5.96
TPSA71.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-chloro-N,N-diphenyl-9H-carbazol-2-amine
CID 154703905
benzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine
CID 67959062
9H-carbazole;bis(N,N-diphenylaniline)
CID 174838898
4-N-[4-(4-aminophenyl)phenyl]-1-N-(3-methylphenyl)-4-N-[4-(N-(3-methylphenyl)anilino)naphthalen-1-yl]-1-N-phenylnaphthalene-1,4-diamine
CID 175485337
4-N-[4-[N-[4-(4-aminoanilino)phenyl]-4-(9H-carbazol-1-yl)anilino]phenyl]benzene-1,4-diamine
CID 175505714
2-methyl-9H-carbazole-1,4-diamine
CID 68823015
4-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 18421146
4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 22944349
N,N-diphenyl-2-propan-2-ylaniline;ethene;1-propan-2-yl-9H-carbazole
CID 174958292
4-(4-aminophenyl)aniline;N,N-diphenylaniline
CID 67789837
2-[(4-amino-9H-carbazol-1-yl)methylamino]ethanol
CID 86074946
1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 23019723

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-aminophenyl)-1-N-phenyl-9H-carbazole-1,4-diamine?
The IUPAC name of 1-N-(4-aminophenyl)-1-N-phenyl-9H-carbazole-1,4-diamine (CID 57266004) is 1-N-(4-aminophenyl)-1-N-phenyl-9H-carbazole-1,4-diamine.
What is the SMILES notation for 1-N-(4-aminophenyl)-1-N-phenyl-9H-carbazole-1,4-diamine?
The canonical SMILES for 1-N-(4-aminophenyl)-1-N-phenyl-9H-carbazole-1,4-diamine is Nc1ccc(N(c2ccccc2)c2ccc(N)c3c2[nH]c2ccccc23)cc1.
What is the InChIKey of 1-N-(4-aminophenyl)-1-N-phenyl-9H-carbazole-1,4-diamine?
The InChIKey is CQRPSVJZXLJXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4/c25-16-10-12-18(13-11-16)28(17-6-2-1-3-7-17)22-15-14-20(26)23-19-8-4-5-9-21(19)27-24(22)23/h1-15,27H,25-26H2.
What are the key properties of 1-N-(4-aminophenyl)-1-N-phenyl-9H-carbazole-1,4-diamine?
1-N-(4-aminophenyl)-1-N-phenyl-9H-carbazole-1,4-diamine has a molecular weight of 364.45 g/mol, XLogP of 5.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-aminophenyl)-1-N-phenyl-9H-carbazole-1,4-diamine is sourced from PubChem (CID 57266004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).