5-[6-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole

C39H24N4 — CID 139362366

IUPAC5-[6-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4cc(-n5c6ccccc6c6cc7ccccc7cc65)ccc4c3)nc3ncccc23)cc1
InChIInChI=1S/C39H24N4/c1-2-9-25(10-3-1)37-33-14-8-20-40-39(33)42-38(41-37)30-17-16-29-22-31(19-18-28(29)21-30)43-35-15-7-6-13-32(35)34-23-26-11-4-5-12-27(26)24-36(34)43/h1-24H
InChIKeyJRVOWUVAJFQDON-UHFFFAOYSA-N
MW548.65 g/mol
LogP9.76
Rot. Bonds3

About 5-[6-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole

5-[6-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole (PubChem CID 139362366) has the molecular formula C39H24N4 and a molecular weight of 548.65 g/mol. Its IUPAC name is 5-[6-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[6-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole
PubChem CID139362366
Molecular FormulaC39H24N4
Molecular Weight548.65 g/mol
Exact Mass548.20
IUPAC Name5-[6-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4cc(-n5c6ccccc6c6cc7ccccc7cc65)ccc4c3)nc3ncccc23)cc1
InChIInChI=1S/C39H24N4/c1-2-9-25(10-3-1)37-33-14-8-20-40-39(33)42-38(41-37)30-17-16-29-22-31(19-18-28(29)21-30)43-35-15-7-6-13-32(35)34-23-26-11-4-5-12-27(26)24-36(34)43/h1-24H
InChIKeyJRVOWUVAJFQDON-UHFFFAOYSA-N
XLogP9.76
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.65
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 134603626
5-[6-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 134603706
8-benzo[b]carbazol-5-yl-5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 155477392
5-[3-(4-phenanthren-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 139362132
2-(6-bromonaphthalen-2-yl)-4-phenylpyrido[2,3-d]pyrimidine
CID 139327751
12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[6-(4-phenylquinazolin-2-yl)naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 160897005
11-naphthalen-2-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-b]carbazole;5-(3-phenylphenyl)-11-[3-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[3,2-b]carbazole
CID 160949028
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621318
3-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155477089
9-naphthalen-2-yl-2-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087222
2-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]-4-phenylbenzo[h]quinazoline
CID 122497126
5-[7-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[7-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[7-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 159513122

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[6-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole (CID 139362366) is 5-[6-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[6-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[6-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccc4cc(-n5c6ccccc6c6cc7ccccc7cc65)ccc4c3)nc3ncccc23)cc1.
What is the InChIKey of 5-[6-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole?
The InChIKey is JRVOWUVAJFQDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4/c1-2-9-25(10-3-1)37-33-14-8-20-40-39(33)42-38(41-37)30-17-16-29-22-31(19-18-28(29)21-30)43-35-15-7-6-13-32(35)34-23-26-11-4-5-12-27(26)24-36(34)43/h1-24H.
What are the key properties of 5-[6-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole?
5-[6-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole has a molecular weight of 548.65 g/mol, XLogP of 9.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole is sourced from PubChem (CID 139362366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).