1-bromo-6-chloro-N-(3,4-dichlorophenyl)-9H-carbazol-3-amine

C18H10BrCl3N2 — CID 171794110

IUPAC1-bromo-6-chloro-N-(3,4-dichlorophenyl)-9H-carbazol-3-amine
SMILESClc1ccc2[nH]c3c(Br)cc(Nc4ccc(Cl)c(Cl)c4)cc3c2c1
InChIInChI=1S/C18H10BrCl3N2/c19-14-7-11(23-10-2-3-15(21)16(22)8-10)6-13-12-5-9(20)1-4-17(12)24-18(13)14/h1-8,23-24H
InChIKeyYHAQIEMGIOKSJW-UHFFFAOYSA-N
MW440.56 g/mol
LogP7.79
Rot. Bonds2

About 1-bromo-6-chloro-N-(3,4-dichlorophenyl)-9H-carbazol-3-amine

1-bromo-6-chloro-N-(3,4-dichlorophenyl)-9H-carbazol-3-amine (PubChem CID 171794110) has the molecular formula C18H10BrCl3N2 and a molecular weight of 440.56 g/mol. Its IUPAC name is 1-bromo-6-chloro-N-(3,4-dichlorophenyl)-9H-carbazol-3-amine.

Molecular Properties

Compound Name1-bromo-6-chloro-N-(3,4-dichlorophenyl)-9H-carbazol-3-amine
PubChem CID171794110
Molecular FormulaC18H10BrCl3N2
Molecular Weight440.56 g/mol
Exact Mass437.91
IUPAC Name1-bromo-6-chloro-N-(3,4-dichlorophenyl)-9H-carbazol-3-amine
SMILESClc1ccc2[nH]c3c(Br)cc(Nc4ccc(Cl)c(Cl)c4)cc3c2c1
InChIInChI=1S/C18H10BrCl3N2/c19-14-7-11(23-10-2-3-15(21)16(22)8-10)6-13-12-5-9(20)1-4-17(12)24-18(13)14/h1-8,23-24H
InChIKeyYHAQIEMGIOKSJW-UHFFFAOYSA-N
XLogP7.79
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.56
LogP ≤ 57.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-aminoethyl)-N-(3,4-dichlorophenyl)-6-methyl-9H-carbazol-3-amine
CID 174337362
1,6-dibromo-3-chloro-9H-carbazole
CID 171793473
2-[[6-chloro-3-(3-chloro-4-methylanilino)-9H-carbazol-1-yl]methyl]guanidine
CID 171793368
N-(3,4-dichlorophenyl)-9H-pyrido[2,3-b]indol-6-amine
CID 171793783
1-(2-aminoethoxy)-6-chloro-N-(4-chlorophenyl)-9H-carbazol-3-amine
CID 171793946
2-[6-chloro-3-(4-chloroanilino)-9H-carbazol-1-yl]acetamide
CID 171794132
1-(2-aminoethyl)-6-chloro-N-(4,5-dichloro-2-pyridinyl)-9H-carbazol-3-amine
CID 171793183
1-(2-aminoethyl)-6-chloro-N-(1H-pyrazol-5-yl)-9H-carbazol-3-amine
CID 171793594
2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]acetamide
CID 171793226
N'-[2-[6-chloro-3-[(4,5-dichloro-2-pyridinyl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide
CID 171794080
5,14,23-trichloro-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
CID 177401984
2-[2-[6-chloro-3-(1H-pyrazol-4-ylamino)-9H-carbazol-1-yl]ethyl]guanidine
CID 171793695

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-chloro-N-(3,4-dichlorophenyl)-9H-carbazol-3-amine?
The IUPAC name of 1-bromo-6-chloro-N-(3,4-dichlorophenyl)-9H-carbazol-3-amine (CID 171794110) is 1-bromo-6-chloro-N-(3,4-dichlorophenyl)-9H-carbazol-3-amine.
What is the SMILES notation for 1-bromo-6-chloro-N-(3,4-dichlorophenyl)-9H-carbazol-3-amine?
The canonical SMILES for 1-bromo-6-chloro-N-(3,4-dichlorophenyl)-9H-carbazol-3-amine is Clc1ccc2[nH]c3c(Br)cc(Nc4ccc(Cl)c(Cl)c4)cc3c2c1.
What is the InChIKey of 1-bromo-6-chloro-N-(3,4-dichlorophenyl)-9H-carbazol-3-amine?
The InChIKey is YHAQIEMGIOKSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrCl3N2/c19-14-7-11(23-10-2-3-15(21)16(22)8-10)6-13-12-5-9(20)1-4-17(12)24-18(13)14/h1-8,23-24H.
What are the key properties of 1-bromo-6-chloro-N-(3,4-dichlorophenyl)-9H-carbazol-3-amine?
1-bromo-6-chloro-N-(3,4-dichlorophenyl)-9H-carbazol-3-amine has a molecular weight of 440.56 g/mol, XLogP of 7.79, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-chloro-N-(3,4-dichlorophenyl)-9H-carbazol-3-amine is sourced from PubChem (CID 171794110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).