5-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole

C41H26N4 — CID 134603673

IUPAC5-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c4ccccc34)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C41H26N4/c1-2-12-27(13-3-1)36-26-37(44-41(43-36)35-19-10-11-23-42-35)31-21-22-39(32-17-7-6-16-30(31)32)45-38-20-9-8-18-33(38)34-24-28-14-4-5-15-29(28)25-40(34)45/h1-26H
InChIKeyNPFUQEFRNCRAID-UHFFFAOYSA-N
MW574.69 g/mol
LogP10.28
Rot. Bonds4

About 5-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole

5-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole (PubChem CID 134603673) has the molecular formula C41H26N4 and a molecular weight of 574.69 g/mol. Its IUPAC name is 5-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole
PubChem CID134603673
Molecular FormulaC41H26N4
Molecular Weight574.69 g/mol
Exact Mass574.22
IUPAC Name5-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c4ccccc34)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C41H26N4/c1-2-12-27(13-3-1)36-26-37(44-41(43-36)35-19-10-11-23-42-35)31-21-22-39(32-17-7-6-16-30(31)32)45-38-20-9-8-18-33(38)34-24-28-14-4-5-15-29(28)25-40(34)45/h1-26H
InChIKeyNPFUQEFRNCRAID-UHFFFAOYSA-N
XLogP10.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.69
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603724
5-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603713
5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603774
5-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;5-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 158002184
5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 134603721
5-(8-phenylquinoxalin-5-yl)benzo[b]carbazole
CID 139361603
5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603586
9-[4-[4-[6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]carbazole
CID 154603932
5-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603571
5-[4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621268
5-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 134603616
9-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 153287600

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole (CID 134603673) is 5-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c4ccccc34)nc(-c3ccccn3)n2)cc1.
What is the InChIKey of 5-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole?
The InChIKey is NPFUQEFRNCRAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4/c1-2-12-27(13-3-1)36-26-37(44-41(43-36)35-19-10-11-23-42-35)31-21-22-39(32-17-7-6-16-30(31)32)45-38-20-9-8-18-33(38)34-24-28-14-4-5-15-29(28)25-40(34)45/h1-26H.
What are the key properties of 5-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole?
5-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 574.69 g/mol, XLogP of 10.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 134603673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).