6-[4-(3-pyridin-4-ylphenyl)naphthalen-1-yl]chromeno[4,3-b]indole

C36H22N2O — CID 122547825

IUPAC6-[4-(3-pyridin-4-ylphenyl)naphthalen-1-yl]chromeno[4,3-b]indole
SMILESc1cc(-c2ccncc2)cc(-c2ccc(-c3oc4ccccc4c4nc5ccccc5c3-4)c3ccccc23)c1
InChIInChI=1S/C36H22N2O/c1-2-11-28-27(10-1)26(25-9-7-8-24(22-25)23-18-20-37-21-19-23)16-17-29(28)36-34-30-12-3-5-14-32(30)38-35(34)31-13-4-6-15-33(31)39-36/h1-22H
InChIKeyQXOMOENHHBJQDG-UHFFFAOYSA-N
MW498.59 g/mol
LogP9.64
Rot. Bonds3

About 6-[4-(3-pyridin-4-ylphenyl)naphthalen-1-yl]chromeno[4,3-b]indole

6-[4-(3-pyridin-4-ylphenyl)naphthalen-1-yl]chromeno[4,3-b]indole (PubChem CID 122547825) has the molecular formula C36H22N2O and a molecular weight of 498.59 g/mol. Its IUPAC name is 6-[4-(3-pyridin-4-ylphenyl)naphthalen-1-yl]chromeno[4,3-b]indole.

Molecular Properties

Compound Name6-[4-(3-pyridin-4-ylphenyl)naphthalen-1-yl]chromeno[4,3-b]indole
PubChem CID122547825
Molecular FormulaC36H22N2O
Molecular Weight498.59 g/mol
Exact Mass498.17
IUPAC Name6-[4-(3-pyridin-4-ylphenyl)naphthalen-1-yl]chromeno[4,3-b]indole
SMILESc1cc(-c2ccncc2)cc(-c2ccc(-c3oc4ccccc4c4nc5ccccc5c3-4)c3ccccc23)c1
InChIInChI=1S/C36H22N2O/c1-2-11-28-27(10-1)26(25-9-7-8-24(22-25)23-18-20-37-21-19-23)16-17-29(28)36-34-30-12-3-5-14-32(30)38-35(34)31-13-4-6-15-33(31)39-36/h1-22H
InChIKeyQXOMOENHHBJQDG-UHFFFAOYSA-N
XLogP9.64
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.59
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]chromeno[4,3-b]indole
CID 122547797
6-[10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]chromeno[4,3-b]indole
CID 157073443
4-[3-[3-[3-dibenzofuran-2-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 155116790
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 171582598
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 130262793
6-(3-chromeno[4,3-b]indol-6-ylphenyl)-9-phenylcarbazole-3-carbonitrile
CID 122547852
4-[3-[3-[3-(4-phenyltriphenylen-1-yl)phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine
CID 118014141
14-phenyl-2-[3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 149192510
4-(1-dibenzofuran-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine
CID 155078891
4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine
CID 154950185
14-phenyl-2-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155247100
2-phenyl-14-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246771

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-pyridin-4-ylphenyl)naphthalen-1-yl]chromeno[4,3-b]indole?
The IUPAC name of 6-[4-(3-pyridin-4-ylphenyl)naphthalen-1-yl]chromeno[4,3-b]indole (CID 122547825) is 6-[4-(3-pyridin-4-ylphenyl)naphthalen-1-yl]chromeno[4,3-b]indole.
What is the SMILES notation for 6-[4-(3-pyridin-4-ylphenyl)naphthalen-1-yl]chromeno[4,3-b]indole?
The canonical SMILES for 6-[4-(3-pyridin-4-ylphenyl)naphthalen-1-yl]chromeno[4,3-b]indole is c1cc(-c2ccncc2)cc(-c2ccc(-c3oc4ccccc4c4nc5ccccc5c3-4)c3ccccc23)c1.
What is the InChIKey of 6-[4-(3-pyridin-4-ylphenyl)naphthalen-1-yl]chromeno[4,3-b]indole?
The InChIKey is QXOMOENHHBJQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2O/c1-2-11-28-27(10-1)26(25-9-7-8-24(22-25)23-18-20-37-21-19-23)16-17-29(28)36-34-30-12-3-5-14-32(30)38-35(34)31-13-4-6-15-33(31)39-36/h1-22H.
What are the key properties of 6-[4-(3-pyridin-4-ylphenyl)naphthalen-1-yl]chromeno[4,3-b]indole?
6-[4-(3-pyridin-4-ylphenyl)naphthalen-1-yl]chromeno[4,3-b]indole has a molecular weight of 498.59 g/mol, XLogP of 9.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-pyridin-4-ylphenyl)naphthalen-1-yl]chromeno[4,3-b]indole is sourced from PubChem (CID 122547825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).