2-[6-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[2,3-b]indol-9-yl]-1,10-phenanthroline

C40H24N6 — CID 118403826

IUPAC2-[6-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[2,3-b]indol-9-yl]-1,10-phenanthroline
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cccnc4n5-c4ccc5ccc6cccnc6c5n4)cc3c3cccnc32)cc1
InChIInChI=1S/C40H24N6/c1-2-8-29(9-3-1)45-34-17-14-27(23-32(34)30-10-5-21-42-39(30)45)28-15-18-35-33(24-28)31-11-6-22-43-40(31)46(35)36-19-16-26-13-12-25-7-4-20-41-37(25)38(26)44-36/h1-24H
InChIKeyWITQDUKNURNZRS-UHFFFAOYSA-N
MW588.67 g/mol
LogP9.43
Rot. Bonds3

About 2-[6-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[2,3-b]indol-9-yl]-1,10-phenanthroline

2-[6-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[2,3-b]indol-9-yl]-1,10-phenanthroline (PubChem CID 118403826) has the molecular formula C40H24N6 and a molecular weight of 588.67 g/mol. Its IUPAC name is 2-[6-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[2,3-b]indol-9-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[6-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[2,3-b]indol-9-yl]-1,10-phenanthroline
PubChem CID118403826
Molecular FormulaC40H24N6
Molecular Weight588.67 g/mol
Exact Mass588.21
IUPAC Name2-[6-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[2,3-b]indol-9-yl]-1,10-phenanthroline
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cccnc4n5-c4ccc5ccc6cccnc6c5n4)cc3c3cccnc32)cc1
InChIInChI=1S/C40H24N6/c1-2-8-29(9-3-1)45-34-17-14-27(23-32(34)30-10-5-21-42-39(30)45)28-15-18-35-33(24-28)31-11-6-22-43-40(31)46(35)36-19-16-26-13-12-25-7-4-20-41-37(25)38(26)44-36/h1-24H
InChIKeyWITQDUKNURNZRS-UHFFFAOYSA-N
XLogP9.43
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.67
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[4-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]-1,10-phenanthroline
CID 118403847
2-[4-[4-(9-phenylpyrido[2,3-b]indol-6-yl)cyclohexa-1,3-dien-1-yl]phenyl]-1,10-phenanthroline
CID 146530896
2-[4-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]phenyl]-1,10-phenanthroline
CID 118403848
2-phenyl-4-(9-phenylcarbazol-3-yl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline
CID 156577563
9-phenyl-6-(10-pyridin-2-ylanthracen-9-yl)pyrido[2,3-b]indole;2-[10-(9-phenylpyrido[2,3-b]indol-6-yl)anthracen-9-yl]-1,10-phenanthroline;9-phenyl-6-(10-quinolin-2-ylanthracen-9-yl)pyrido[2,3-b]indole
CID 159575994
3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole
CID 118133191
6-(5-naphthalen-1-yl-2-pyridinyl)-9-phenylpyrido[2,3-b]indole
CID 118403794
7-[4-(9-phenylcarbazol-3-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559213
8-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylpyrido[2,3-b]indole
CID 118587088
2-phenyl-3-[3-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]phenanthro[9,10-d]imidazole
CID 126500750
9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 159710225
N-(4-phenylphenyl)-3-(9-phenylpyrido[2,3-b]indol-6-yl)aniline
CID 151073057

Frequently Asked Questions

What is the IUPAC name of 2-[6-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[2,3-b]indol-9-yl]-1,10-phenanthroline?
The IUPAC name of 2-[6-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[2,3-b]indol-9-yl]-1,10-phenanthroline (CID 118403826) is 2-[6-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[2,3-b]indol-9-yl]-1,10-phenanthroline.
What is the SMILES notation for 2-[6-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[2,3-b]indol-9-yl]-1,10-phenanthroline?
The canonical SMILES for 2-[6-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[2,3-b]indol-9-yl]-1,10-phenanthroline is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4cccnc4n5-c4ccc5ccc6cccnc6c5n4)cc3c3cccnc32)cc1.
What is the InChIKey of 2-[6-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[2,3-b]indol-9-yl]-1,10-phenanthroline?
The InChIKey is WITQDUKNURNZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N6/c1-2-8-29(9-3-1)45-34-17-14-27(23-32(34)30-10-5-21-42-39(30)45)28-15-18-35-33(24-28)31-11-6-22-43-40(31)46(35)36-19-16-26-13-12-25-7-4-20-41-37(25)38(26)44-36/h1-24H.
What are the key properties of 2-[6-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[2,3-b]indol-9-yl]-1,10-phenanthroline?
2-[6-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[2,3-b]indol-9-yl]-1,10-phenanthroline has a molecular weight of 588.67 g/mol, XLogP of 9.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[2,3-b]indol-9-yl]-1,10-phenanthroline is sourced from PubChem (CID 118403826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).