5-[3-(4-anthracen-9-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]-1,2-dihydropyrido[3,2-b]indole

C41H28N4 — CID 130343881

IUPAC5-[3-(4-anthracen-9-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]-1,2-dihydropyrido[3,2-b]indole
SMILESC1=Cc2c(c3ccccc3n2-c2cccc(-c3cc(-c4c5ccccc5cc5ccccc45)cc(-c4ccccn4)n3)c2)NC1
InChIInChI=1S/C41H28N4/c1-3-15-32-27(11-1)23-28-12-2-4-16-33(28)40(32)30-25-36(44-37(26-30)35-18-7-8-21-42-35)29-13-9-14-31(24-29)45-38-19-6-5-17-34(38)41-39(45)20-10-22-43-41/h1-21,23-26,43H,22H2
InChIKeyHUYSIRBSOAMMFM-UHFFFAOYSA-N
MW576.70 g/mol
LogP10.17
Rot. Bonds4

About 5-[3-(4-anthracen-9-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]-1,2-dihydropyrido[3,2-b]indole

5-[3-(4-anthracen-9-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]-1,2-dihydropyrido[3,2-b]indole (PubChem CID 130343881) has the molecular formula C41H28N4 and a molecular weight of 576.70 g/mol. Its IUPAC name is 5-[3-(4-anthracen-9-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]-1,2-dihydropyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[3-(4-anthracen-9-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]-1,2-dihydropyrido[3,2-b]indole
PubChem CID130343881
Molecular FormulaC41H28N4
Molecular Weight576.70 g/mol
Exact Mass576.23
IUPAC Name5-[3-(4-anthracen-9-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]-1,2-dihydropyrido[3,2-b]indole
SMILESC1=Cc2c(c3ccccc3n2-c2cccc(-c3cc(-c4c5ccccc5cc5ccccc45)cc(-c4ccccn4)n3)c2)NC1
InChIInChI=1S/C41H28N4/c1-3-15-32-27(11-1)23-28-12-2-4-16-33(28)40(32)30-25-36(44-37(26-30)35-18-7-8-21-42-35)29-13-9-14-31(24-29)45-38-19-6-5-17-34(38)41-39(45)20-10-22-43-41/h1-21,23-26,43H,22H2
InChIKeyHUYSIRBSOAMMFM-UHFFFAOYSA-N
XLogP10.17
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 510.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-[3-[6-[5-[4-(1,2-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[3,2-b]indole
CID 67966056
5-[3-[6-pyridin-2-yl-4-[10-(4-pyrido[4,3-b]indol-5-ylphenyl)anthracen-9-yl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 89119653
5-[3-(2-phenanthren-2-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[4,3-b]indole
CID 59326078
2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 134252122
5-[3-[2-(4-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 59326106
(Z)-2-[3-methyl-1-[3-(2-phenanthren-2-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]indol-2-yl]ethenamine
CID 145477230
5-phenyl-8-(9-phenylcarbazol-3-yl)-1,2-dihydropyrido[3,2-b]indole
CID 129093247
5-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole
CID 70940766
5-[6-(2-phenanthren-2-yl-6-pyridin-2-yl-4-pyridinyl)-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole
CID 118053817
5-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 118587835
9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(3-phenyl-5-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 161276127
2,4-bis(4-phenylphenyl)-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidine;4-(3,5-diphenylphenyl)-2-phenyl-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidine;9-[3-[2-phenyl-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidin-4-yl]phenyl]carbazole;9-[4-[2-phenyl-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidin-4-yl]phenyl]carbazole
CID 165110893

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-anthracen-9-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]-1,2-dihydropyrido[3,2-b]indole?
The IUPAC name of 5-[3-(4-anthracen-9-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]-1,2-dihydropyrido[3,2-b]indole (CID 130343881) is 5-[3-(4-anthracen-9-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]-1,2-dihydropyrido[3,2-b]indole.
What is the SMILES notation for 5-[3-(4-anthracen-9-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]-1,2-dihydropyrido[3,2-b]indole?
The canonical SMILES for 5-[3-(4-anthracen-9-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]-1,2-dihydropyrido[3,2-b]indole is C1=Cc2c(c3ccccc3n2-c2cccc(-c3cc(-c4c5ccccc5cc5ccccc45)cc(-c4ccccn4)n3)c2)NC1.
What is the InChIKey of 5-[3-(4-anthracen-9-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]-1,2-dihydropyrido[3,2-b]indole?
The InChIKey is HUYSIRBSOAMMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4/c1-3-15-32-27(11-1)23-28-12-2-4-16-33(28)40(32)30-25-36(44-37(26-30)35-18-7-8-21-42-35)29-13-9-14-31(24-29)45-38-19-6-5-17-34(38)41-39(45)20-10-22-43-41/h1-21,23-26,43H,22H2.
What are the key properties of 5-[3-(4-anthracen-9-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]-1,2-dihydropyrido[3,2-b]indole?
5-[3-(4-anthracen-9-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]-1,2-dihydropyrido[3,2-b]indole has a molecular weight of 576.70 g/mol, XLogP of 10.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-anthracen-9-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]-1,2-dihydropyrido[3,2-b]indole is sourced from PubChem (CID 130343881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).