N-[2-(9H-carbazol-1-yl)phenyl]-4-chloro-3-iodoaniline

C24H16ClIN2 — CID 155346642

IUPACN-[2-(9H-carbazol-1-yl)phenyl]-4-chloro-3-iodoaniline
SMILESClc1ccc(Nc2ccccc2-c2cccc3c2[nH]c2ccccc23)cc1I
InChIInChI=1S/C24H16ClIN2/c25-20-13-12-15(14-21(20)26)27-22-10-3-1-6-16(22)18-8-5-9-19-17-7-2-4-11-23(17)28-24(18)19/h1-14,27-28H
InChIKeyPRZSEOQEFQPWLY-UHFFFAOYSA-N
MW494.76 g/mol
LogP7.99
Rot. Bonds3

About N-[2-(9H-carbazol-1-yl)phenyl]-4-chloro-3-iodoaniline

N-[2-(9H-carbazol-1-yl)phenyl]-4-chloro-3-iodoaniline (PubChem CID 155346642) has the molecular formula C24H16ClIN2 and a molecular weight of 494.76 g/mol. Its IUPAC name is N-[2-(9H-carbazol-1-yl)phenyl]-4-chloro-3-iodoaniline.

Molecular Properties

Compound NameN-[2-(9H-carbazol-1-yl)phenyl]-4-chloro-3-iodoaniline
PubChem CID155346642
Molecular FormulaC24H16ClIN2
Molecular Weight494.76 g/mol
Exact Mass494.00
IUPAC NameN-[2-(9H-carbazol-1-yl)phenyl]-4-chloro-3-iodoaniline
SMILESClc1ccc(Nc2ccccc2-c2cccc3c2[nH]c2ccccc23)cc1I
InChIInChI=1S/C24H16ClIN2/c25-20-13-12-15(14-21(20)26)27-22-10-3-1-6-16(22)18-8-5-9-19-17-7-2-4-11-23(17)28-24(18)19/h1-14,27-28H
InChIKeyPRZSEOQEFQPWLY-UHFFFAOYSA-N
XLogP7.99
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.76
LogP ≤ 57.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
N-naphthalen-1-yl-9H-carbazol-2-amine
CID 155236991
1-[2-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]-9H-carbazole
CID 175930440
4-[3-(2-iodophenyl)-9H-carbazol-1-yl]-N-phenylaniline
CID 140551953
4-(9H-carbazol-1-yl)-2,5-diiodobenzaldehyde
CID 141194395
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
1-(3,4-diphenylphenyl)-9H-carbazole
CID 141489388
2-(9H-carbazol-1-yl)-N,N-bis[2-(9H-carbazol-1-yl)phenyl]aniline
CID 68812374
1-fluoranthen-3-yl-9H-carbazole
CID 142752993
N-[2-(2-phenyl-9H-carbazol-1-yl)phenyl]naphthalen-1-amine
CID 175536282
N-[4-[5-[4-(9H-carbazol-1-ylamino)phenyl]-3,4-diphenylthiophen-2-yl]phenyl]-9H-carbazol-1-amine
CID 139964419
N-[4-[2-[4-(9H-carbazol-1-ylamino)phenyl]-4,5-diphenylthiophen-3-yl]phenyl]-9H-carbazol-1-amine
CID 139964399

Frequently Asked Questions

What is the IUPAC name of N-[2-(9H-carbazol-1-yl)phenyl]-4-chloro-3-iodoaniline?
The IUPAC name of N-[2-(9H-carbazol-1-yl)phenyl]-4-chloro-3-iodoaniline (CID 155346642) is N-[2-(9H-carbazol-1-yl)phenyl]-4-chloro-3-iodoaniline.
What is the SMILES notation for N-[2-(9H-carbazol-1-yl)phenyl]-4-chloro-3-iodoaniline?
The canonical SMILES for N-[2-(9H-carbazol-1-yl)phenyl]-4-chloro-3-iodoaniline is Clc1ccc(Nc2ccccc2-c2cccc3c2[nH]c2ccccc23)cc1I.
What is the InChIKey of N-[2-(9H-carbazol-1-yl)phenyl]-4-chloro-3-iodoaniline?
The InChIKey is PRZSEOQEFQPWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClIN2/c25-20-13-12-15(14-21(20)26)27-22-10-3-1-6-16(22)18-8-5-9-19-17-7-2-4-11-23(17)28-24(18)19/h1-14,27-28H.
What are the key properties of N-[2-(9H-carbazol-1-yl)phenyl]-4-chloro-3-iodoaniline?
N-[2-(9H-carbazol-1-yl)phenyl]-4-chloro-3-iodoaniline has a molecular weight of 494.76 g/mol, XLogP of 7.99, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9H-carbazol-1-yl)phenyl]-4-chloro-3-iodoaniline is sourced from PubChem (CID 155346642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).