8-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-5-(4-phenylphenyl)-6,7-dihydropyrido[4,3-b]indole

C49H34N4 — CID 118983822

IUPAC8-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-5-(4-phenylphenyl)-6,7-dihydropyrido[4,3-b]indole
SMILESC1=C(c2ccc(-c3cc(-c4ccccn4)nc(-c4cccc5ccccc45)c3)cc2)CCc2c1c1cnccc1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C49H34N4/c1-2-9-33(10-3-1)34-20-23-40(24-21-34)53-48-25-22-38(29-43(48)44-32-50-28-26-49(44)53)35-16-18-36(19-17-35)39-30-46(52-47(31-39)45-15-6-7-27-51-45)42-14-8-12-37-11-4-5-13-41(37)42/h1-21,23-24,26-32H,22,25H2
InChIKeyOLGISNKTHKYFIX-UHFFFAOYSA-N
MW678.84 g/mol
LogP12.12
Rot. Bonds6

About 8-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-5-(4-phenylphenyl)-6,7-dihydropyrido[4,3-b]indole

8-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-5-(4-phenylphenyl)-6,7-dihydropyrido[4,3-b]indole (PubChem CID 118983822) has the molecular formula C49H34N4 and a molecular weight of 678.84 g/mol. Its IUPAC name is 8-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-5-(4-phenylphenyl)-6,7-dihydropyrido[4,3-b]indole.

Molecular Properties

Compound Name8-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-5-(4-phenylphenyl)-6,7-dihydropyrido[4,3-b]indole
PubChem CID118983822
Molecular FormulaC49H34N4
Molecular Weight678.84 g/mol
Exact Mass678.28
IUPAC Name8-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-5-(4-phenylphenyl)-6,7-dihydropyrido[4,3-b]indole
SMILESC1=C(c2ccc(-c3cc(-c4ccccn4)nc(-c4cccc5ccccc45)c3)cc2)CCc2c1c1cnccc1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C49H34N4/c1-2-9-33(10-3-1)34-20-23-40(24-21-34)53-48-25-22-38(29-43(48)44-32-50-28-26-49(44)53)35-16-18-36(19-17-35)39-30-46(52-47(31-39)45-15-6-7-27-51-45)42-14-8-12-37-11-4-5-13-41(37)42/h1-21,23-24,26-32H,22,25H2
InChIKeyOLGISNKTHKYFIX-UHFFFAOYSA-N
XLogP12.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.84
LogP ≤ 512.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[3,2-b]indole
CID 59326017
5-[3-[2-(4-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 59326106
9-[4-[4-(3-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]phenyl]pyrido[3,4-b]indole
CID 59325997
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
5-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole
CID 70940766
5-[3-(2-phenanthren-2-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[4,3-b]indole
CID 59326078
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
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
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
8-[4-[6-naphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole;5-(4-phenylphenyl)-8-[4-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]pyrido[4,3-b]indole
CID 158697190
9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole
CID 164817113

Frequently Asked Questions

What is the IUPAC name of 8-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-5-(4-phenylphenyl)-6,7-dihydropyrido[4,3-b]indole?
The IUPAC name of 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) is 8-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-5-(4-phenylphenyl)-6,7-dihydropyrido[4,3-b]indole.
What is the SMILES notation for 8-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-5-(4-phenylphenyl)-6,7-dihydropyrido[4,3-b]indole?
The canonical SMILES for 8-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-5-(4-phenylphenyl)-6,7-dihydropyrido[4,3-b]indole is C1=C(c2ccc(-c3cc(-c4ccccn4)nc(-c4cccc5ccccc45)c3)cc2)CCc2c1c1cnccc1n2-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 8-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-5-(4-phenylphenyl)-6,7-dihydropyrido[4,3-b]indole?
The InChIKey is OLGISNKTHKYFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N4/c1-2-9-33(10-3-1)34-20-23-40(24-21-34)53-48-25-22-38(29-43(48)44-32-50-28-26-49(44)53)35-16-18-36(19-17-35)39-30-46(52-47(31-39)45-15-6-7-27-51-45)42-14-8-12-37-11-4-5-13-41(37)42/h1-21,23-24,26-32H,22,25H2.
What are the key properties of 8-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-5-(4-phenylphenyl)-6,7-dihydropyrido[4,3-b]indole?
8-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-5-(4-phenylphenyl)-6,7-dihydropyrido[4,3-b]indole has a molecular weight of 678.84 g/mol, XLogP of 12.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-5-(4-phenylphenyl)-6,7-dihydropyrido[4,3-b]indole is sourced from PubChem (CID 118983822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).