3-chloro-1H-indole;3-(3-chloroindol-1-yl)-9-phenylcarbazole;3-iodo-9-phenylcarbazole

C52H35Cl2IN4 — CID 165027931

IUPAC3-chloro-1H-indole;3-(3-chloroindol-1-yl)-9-phenylcarbazole;3-iodo-9-phenylcarbazole
SMILESClc1c[nH]c2ccccc12.Clc1cn(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc12.Ic1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C26H17ClN2.C18H12IN.C8H6ClN/c27-23-17-28(24-12-6-5-11-21(23)24)19-14-15-26-22(16-19)20-10-4-7-13-25(20)29(26)18-8-2-1-3-9-18;19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14;9-7-5-10-8-4-2-1-3-6(7)8/h1-17H;1-12H;1-5,10H
InChIKeyMELXITYMVJHLJE-UHFFFAOYSA-N
MW913.69 g/mol
LogP15.59
Rot. Bonds3

About 3-chloro-1H-indole;3-(3-chloroindol-1-yl)-9-phenylcarbazole;3-iodo-9-phenylcarbazole

3-chloro-1H-indole;3-(3-chloroindol-1-yl)-9-phenylcarbazole;3-iodo-9-phenylcarbazole (PubChem CID 165027931) has the molecular formula C52H35Cl2IN4 and a molecular weight of 913.69 g/mol. Its IUPAC name is 3-chloro-1H-indole;3-(3-chloroindol-1-yl)-9-phenylcarbazole;3-iodo-9-phenylcarbazole.

Molecular Properties

Compound Name3-chloro-1H-indole;3-(3-chloroindol-1-yl)-9-phenylcarbazole;3-iodo-9-phenylcarbazole
PubChem CID165027931
Molecular FormulaC52H35Cl2IN4
Molecular Weight913.69 g/mol
Exact Mass912.13
IUPAC Name3-chloro-1H-indole;3-(3-chloroindol-1-yl)-9-phenylcarbazole;3-iodo-9-phenylcarbazole
SMILESClc1c[nH]c2ccccc12.Clc1cn(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc12.Ic1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C26H17ClN2.C18H12IN.C8H6ClN/c27-23-17-28(24-12-6-5-11-21(23)24)19-14-15-26-22(16-19)20-10-4-7-13-25(20)29(26)18-8-2-1-3-9-18;19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14;9-7-5-10-8-4-2-1-3-6(7)8/h1-17H;1-12H;1-5,10H
InChIKeyMELXITYMVJHLJE-UHFFFAOYSA-N
XLogP15.59
TPSA30.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.69
LogP ≤ 515.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole
CID 5302583
1,4-Bis(di(1h-indol-3-yl)methyl)benzene
CID 15637613
3,5-diyl)bis(5-chloro-1-methyl-1H-indole)
CID 45028129
2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-phenylindole
CID 127035024
3-[[5-[bis(1H-indol-3-yl)methyl]-2-pyridinyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 127035572
3-[[6-[bis(5-chloro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-chloro-1H-indol-3-yl)methyl]-5-chloro-1H-indole
CID 127035942
3-[[3-[bis(1H-indol-3-yl)methyl]phenyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 57326685
3-[(5-amino-1H-indol-3-yl)-[4-[bis(5-amino-1H-indol-3-yl)methyl]phenyl]methyl]-1H-indol-5-amine
CID 57326885
3-[(2,6-dichlorophenyl)-(5-iodo-1H-indol-3-yl)methyl]-5-iodo-1H-indole
CID 72196555
3-[[6-[bis(1H-indol-3-yl)methyl]-2-pyridinyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 127035737
3-[[5-[bis(5-chloro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-chloro-1H-indol-3-yl)methyl]-5-chloro-1H-indole
CID 127036137
(1S,4S)-6-chloro-1,4-bis(5-chloro-1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole
CID 127039182

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1H-indole;3-(3-chloroindol-1-yl)-9-phenylcarbazole;3-iodo-9-phenylcarbazole?
The IUPAC name of 3-chloro-1H-indole;3-(3-chloroindol-1-yl)-9-phenylcarbazole;3-iodo-9-phenylcarbazole (CID 165027931) is 3-chloro-1H-indole;3-(3-chloroindol-1-yl)-9-phenylcarbazole;3-iodo-9-phenylcarbazole.
What is the SMILES notation for 3-chloro-1H-indole;3-(3-chloroindol-1-yl)-9-phenylcarbazole;3-iodo-9-phenylcarbazole?
The canonical SMILES for 3-chloro-1H-indole;3-(3-chloroindol-1-yl)-9-phenylcarbazole;3-iodo-9-phenylcarbazole is Clc1c[nH]c2ccccc12.Clc1cn(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc12.Ic1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 3-chloro-1H-indole;3-(3-chloroindol-1-yl)-9-phenylcarbazole;3-iodo-9-phenylcarbazole?
The InChIKey is MELXITYMVJHLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClN2.C18H12IN.C8H6ClN/c27-23-17-28(24-12-6-5-11-21(23)24)19-14-15-26-22(16-19)20-10-4-7-13-25(20)29(26)18-8-2-1-3-9-18;19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14;9-7-5-10-8-4-2-1-3-6(7)8/h1-17H;1-12H;1-5,10H.
What are the key properties of 3-chloro-1H-indole;3-(3-chloroindol-1-yl)-9-phenylcarbazole;3-iodo-9-phenylcarbazole?
3-chloro-1H-indole;3-(3-chloroindol-1-yl)-9-phenylcarbazole;3-iodo-9-phenylcarbazole has a molecular weight of 913.69 g/mol, XLogP of 15.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1H-indole;3-(3-chloroindol-1-yl)-9-phenylcarbazole;3-iodo-9-phenylcarbazole is sourced from PubChem (CID 165027931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).