6-chloro-9-phenylpyrido[2,3-b]indole;6-chloro-9H-pyrido[2,3-b]indole;iodobenzene

C34H23Cl2IN4 — CID 160542805

IUPAC6-chloro-9-phenylpyrido[2,3-b]indole;6-chloro-9H-pyrido[2,3-b]indole;iodobenzene
SMILESClc1ccc2[nH]c3ncccc3c2c1.Clc1ccc2c(c1)c1cccnc1n2-c1ccccc1.Ic1ccccc1
InChIInChI=1S/C17H11ClN2.C11H7ClN2.C6H5I/c18-12-8-9-16-15(11-12)14-7-4-10-19-17(14)20(16)13-5-2-1-3-6-13;12-7-3-4-10-9(6-7)8-2-1-5-13-11(8)14-10;7-6-4-2-1-3-5-6/h1-11H;1-6H,(H,13,14);1-5H
InChIKeyQXABDKILXVRSQU-UHFFFAOYSA-N
MW685.40 g/mol
LogP10.49
Rot. Bonds1

About 6-chloro-9-phenylpyrido[2,3-b]indole;6-chloro-9H-pyrido[2,3-b]indole;iodobenzene

6-chloro-9-phenylpyrido[2,3-b]indole;6-chloro-9H-pyrido[2,3-b]indole;iodobenzene (PubChem CID 160542805) has the molecular formula C34H23Cl2IN4 and a molecular weight of 685.40 g/mol. Its IUPAC name is 6-chloro-9-phenylpyrido[2,3-b]indole;6-chloro-9H-pyrido[2,3-b]indole;iodobenzene.

Molecular Properties

Compound Name6-chloro-9-phenylpyrido[2,3-b]indole;6-chloro-9H-pyrido[2,3-b]indole;iodobenzene
PubChem CID160542805
Molecular FormulaC34H23Cl2IN4
Molecular Weight685.40 g/mol
Exact Mass684.03
IUPAC Name6-chloro-9-phenylpyrido[2,3-b]indole;6-chloro-9H-pyrido[2,3-b]indole;iodobenzene
SMILESClc1ccc2[nH]c3ncccc3c2c1.Clc1ccc2c(c1)c1cccnc1n2-c1ccccc1.Ic1ccccc1
InChIInChI=1S/C17H11ClN2.C11H7ClN2.C6H5I/c18-12-8-9-16-15(11-12)14-7-4-10-19-17(14)20(16)13-5-2-1-3-6-13;12-7-3-4-10-9(6-7)8-2-1-5-13-11(8)14-10;7-6-4-2-1-3-5-6/h1-11H;1-6H,(H,13,14);1-5H
InChIKeyQXABDKILXVRSQU-UHFFFAOYSA-N
XLogP10.49
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.40
LogP ≤ 510.49
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

20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 166015522
9-phenylpyrido[2,3-b]indole
CID 15939260
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
6-iodo-9-pyridin-2-ylpyrido[2,3-b]indole
CID 134576120
2-[6-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[2,3-b]indol-9-yl]-1,10-phenanthroline
CID 118403826
7-methyl-9-phenylpyrido[2,3-b]indole
CID 140770345
2-[4-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]-1,10-phenanthroline
CID 118403847
N-(4-phenylphenyl)-3-(9-phenylpyrido[2,3-b]indol-6-yl)aniline
CID 151073057
diphenyl-(3-phenylphenyl)-(9-phenylpyrido[2,3-b]indol-6-yl)silane
CID 158596767
9-phenyl-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-b]indole
CID 118403810
6-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 129221841
6-chloro-9-[4-[2-[4-(6-chloropyrido[3,4-b]indol-9-yl)phenyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[3,4-b]indole;5-[4-[2-pyridin-2-yl-6-(4-pyrido[3,2-b]indol-5-ylphenyl)-4-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[2-pyridin-2-yl-6-(4-pyrido[4,3-b]indol-5-ylphenyl)-4-pyridinyl]phenyl]pyrido[4,3-b]indole;9-[3-[2-pyridin-2-yl-6-(3-pyrido[2,3-b]indol-9-ylphenyl)-4-pyridinyl]phenyl]pyrido[2,3-b]indole
CID 161031543

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-phenylpyrido[2,3-b]indole;6-chloro-9H-pyrido[2,3-b]indole;iodobenzene?
The IUPAC name of 6-chloro-9-phenylpyrido[2,3-b]indole;6-chloro-9H-pyrido[2,3-b]indole;iodobenzene (CID 160542805) is 6-chloro-9-phenylpyrido[2,3-b]indole;6-chloro-9H-pyrido[2,3-b]indole;iodobenzene.
What is the SMILES notation for 6-chloro-9-phenylpyrido[2,3-b]indole;6-chloro-9H-pyrido[2,3-b]indole;iodobenzene?
The canonical SMILES for 6-chloro-9-phenylpyrido[2,3-b]indole;6-chloro-9H-pyrido[2,3-b]indole;iodobenzene is Clc1ccc2[nH]c3ncccc3c2c1.Clc1ccc2c(c1)c1cccnc1n2-c1ccccc1.Ic1ccccc1.
What is the InChIKey of 6-chloro-9-phenylpyrido[2,3-b]indole;6-chloro-9H-pyrido[2,3-b]indole;iodobenzene?
The InChIKey is QXABDKILXVRSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2.C11H7ClN2.C6H5I/c18-12-8-9-16-15(11-12)14-7-4-10-19-17(14)20(16)13-5-2-1-3-6-13;12-7-3-4-10-9(6-7)8-2-1-5-13-11(8)14-10;7-6-4-2-1-3-5-6/h1-11H;1-6H,(H,13,14);1-5H.
What are the key properties of 6-chloro-9-phenylpyrido[2,3-b]indole;6-chloro-9H-pyrido[2,3-b]indole;iodobenzene?
6-chloro-9-phenylpyrido[2,3-b]indole;6-chloro-9H-pyrido[2,3-b]indole;iodobenzene has a molecular weight of 685.40 g/mol, XLogP of 10.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-phenylpyrido[2,3-b]indole;6-chloro-9H-pyrido[2,3-b]indole;iodobenzene is sourced from PubChem (CID 160542805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).