5-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole

C46H29N3 — CID 134603713

IUPAC5-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c4ccccc34)n2)cc1
InChIInChI=1S/C46H29N3/c1-2-13-31(14-3-1)41-29-42(35-23-22-30-12-4-5-15-32(30)26-35)48-46(47-41)39-24-25-44(37-19-9-8-18-36(37)39)49-43-21-11-10-20-38(43)40-27-33-16-6-7-17-34(33)28-45(40)49/h1-29H
InChIKeyRVEFRUGENUAVIJ-UHFFFAOYSA-N
MW623.76 g/mol
LogP12.03
Rot. Bonds4

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

5-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole (PubChem CID 134603713) has the molecular formula C46H29N3 and a molecular weight of 623.76 g/mol. Its IUPAC name is 5-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole
PubChem CID134603713
Molecular FormulaC46H29N3
Molecular Weight623.76 g/mol
Exact Mass623.24
IUPAC Name5-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c4ccccc34)n2)cc1
InChIInChI=1S/C46H29N3/c1-2-13-31(14-3-1)41-29-42(35-23-22-30-12-4-5-15-32(30)26-35)48-46(47-41)39-24-25-44(37-19-9-8-18-36(37)39)49-43-21-11-10-20-38(43)40-27-33-16-6-7-17-34(33)28-45(40)49/h1-29H
InChIKeyRVEFRUGENUAVIJ-UHFFFAOYSA-N
XLogP12.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.76
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
16-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 138654339
5-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603724
9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]carbazole
CID 58971540
5-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603673
5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(3-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole
CID 155450393
5-[4-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 139362120
9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole
CID 162150262
5-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole;5-[5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole;5-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 158124931
5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603586
5-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 134603616

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole (CID 134603713) is 5-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole is c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c4ccccc34)n2)cc1.
What is the InChIKey of 5-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The InChIKey is RVEFRUGENUAVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3/c1-2-13-31(14-3-1)41-29-42(35-23-22-30-12-4-5-15-32(30)26-35)48-46(47-41)39-24-25-44(37-19-9-8-18-36(37)39)49-43-21-11-10-20-38(43)40-27-33-16-6-7-17-34(33)28-45(40)49/h1-29H.
What are the key properties of 5-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
5-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 623.76 g/mol, XLogP of 12.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 134603713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).