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

C37H26N4 — CID 70940766

IUPAC5-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole
SMILESC1=Cc2c(c3ccccc3n2-c2ccc(-c3cc(-c4ccccn4)nc(-c4cccc5ccccc45)c3)cc2)CN1
InChIInChI=1S/C37H26N4/c1-2-10-29-26(8-1)9-7-12-30(29)34-22-27(23-35(40-34)33-13-5-6-20-39-33)25-15-17-28(18-16-25)41-36-14-4-3-11-31(36)32-24-38-21-19-37(32)41/h1-23,38H,24H2
InChIKeyJLPSOYZFKIJLGY-UHFFFAOYSA-N
MW526.64 g/mol
LogP8.65
Rot. Bonds4

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

5-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole (PubChem CID 70940766) has the molecular formula C37H26N4 and a molecular weight of 526.64 g/mol. Its IUPAC name is 5-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole
PubChem CID70940766
Molecular FormulaC37H26N4
Molecular Weight526.64 g/mol
Exact Mass526.22
IUPAC Name5-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole
SMILESC1=Cc2c(c3ccccc3n2-c2ccc(-c3cc(-c4ccccn4)nc(-c4cccc5ccccc45)c3)cc2)CN1
InChIInChI=1S/C37H26N4/c1-2-10-29-26(8-1)9-7-12-30(29)34-22-27(23-35(40-34)33-13-5-6-20-39-33)25-15-17-28(18-16-25)41-36-14-4-3-11-31(36)32-24-38-21-19-37(32)41/h1-23,38H,24H2
InChIKeyJLPSOYZFKIJLGY-UHFFFAOYSA-N
XLogP8.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.64
LogP ≤ 58.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene
CID 163624546
5-[6-(2-phenanthren-2-yl-6-pyridin-2-yl-4-pyridinyl)-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole
CID 118053817
5-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,2-b]indole
CID 59326017
5-[4-(2-naphthalen-2-yl-6-pyridin-3-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide
CID 145477210
5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole
CID 143626906
8-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-5-(4-phenylphenyl)-6,7-dihydropyrido[4,3-b]indole
CID 118983822
7-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(4-naphthalen-1-ylphenyl)indolo[2,3-c]quinoline;7-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(4-phenylphenyl)indolo[2,3-c]quinoline;7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(4-phenylphenyl)indolo[2,3-c]quinoline
CID 158266041
9-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyrido[3,4-b]indole
CID 58750621
9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,4-b]indole
CID 58750680
9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289394
2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 134252122
9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole;9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole;9-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 157415442

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole?
The IUPAC name of 5-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole (CID 70940766) is 5-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole.
What is the SMILES notation for 5-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole?
The canonical SMILES for 5-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole is C1=Cc2c(c3ccccc3n2-c2ccc(-c3cc(-c4ccccn4)nc(-c4cccc5ccccc45)c3)cc2)CN1.
What is the InChIKey of 5-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole?
The InChIKey is JLPSOYZFKIJLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N4/c1-2-10-29-26(8-1)9-7-12-30(29)34-22-27(23-35(40-34)33-13-5-6-20-39-33)25-15-17-28(18-16-25)41-36-14-4-3-11-31(36)32-24-38-21-19-37(32)41/h1-23,38H,24H2.
What are the key properties of 5-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole?
5-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole has a molecular weight of 526.64 g/mol, XLogP of 8.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole is sourced from PubChem (CID 70940766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).