N-iodo-N-(4-methylphenyl)-9-phenylcarbazol-3-amine

C25H19IN2 — CID 137416306

IUPACN-iodo-N-(4-methylphenyl)-9-phenylcarbazol-3-amine
SMILESCc1ccc(N(I)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C25H19IN2/c1-18-11-13-20(14-12-18)28(26)21-15-16-25-23(17-21)22-9-5-6-10-24(22)27(25)19-7-3-2-4-8-19/h2-17H,1H3
InChIKeyROSSRPMAVIUIKB-UHFFFAOYSA-N
MW474.35 g/mol
LogP7.58
Rot. Bonds3

About N-iodo-N-(4-methylphenyl)-9-phenylcarbazol-3-amine

N-iodo-N-(4-methylphenyl)-9-phenylcarbazol-3-amine (PubChem CID 137416306) has the molecular formula C25H19IN2 and a molecular weight of 474.35 g/mol. Its IUPAC name is N-iodo-N-(4-methylphenyl)-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-iodo-N-(4-methylphenyl)-9-phenylcarbazol-3-amine
PubChem CID137416306
Molecular FormulaC25H19IN2
Molecular Weight474.35 g/mol
Exact Mass474.06
IUPAC NameN-iodo-N-(4-methylphenyl)-9-phenylcarbazol-3-amine
SMILESCc1ccc(N(I)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C25H19IN2/c1-18-11-13-20(14-12-18)28(26)21-15-16-25-23(17-21)22-9-5-6-10-24(22)27(25)19-7-3-2-4-8-19/h2-17H,1H3
InChIKeyROSSRPMAVIUIKB-UHFFFAOYSA-N
XLogP7.58
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.35
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(4-methylphenyl)-9-phenylcarbazol-3-amine
CID 58903567
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)-5,11-diphenylindolo[3,2-b]carbazole-2,8-diamine
CID 58501357
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
2-methyl-7-(4-methylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 71140488
(4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 158052706
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303

Frequently Asked Questions

What is the IUPAC name of N-iodo-N-(4-methylphenyl)-9-phenylcarbazol-3-amine?
The IUPAC name of N-iodo-N-(4-methylphenyl)-9-phenylcarbazol-3-amine (CID 137416306) is N-iodo-N-(4-methylphenyl)-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-iodo-N-(4-methylphenyl)-9-phenylcarbazol-3-amine?
The canonical SMILES for N-iodo-N-(4-methylphenyl)-9-phenylcarbazol-3-amine is Cc1ccc(N(I)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-iodo-N-(4-methylphenyl)-9-phenylcarbazol-3-amine?
The InChIKey is ROSSRPMAVIUIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19IN2/c1-18-11-13-20(14-12-18)28(26)21-15-16-25-23(17-21)22-9-5-6-10-24(22)27(25)19-7-3-2-4-8-19/h2-17H,1H3.
What are the key properties of N-iodo-N-(4-methylphenyl)-9-phenylcarbazol-3-amine?
N-iodo-N-(4-methylphenyl)-9-phenylcarbazol-3-amine has a molecular weight of 474.35 g/mol, XLogP of 7.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-N-(4-methylphenyl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 137416306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).