9-phenyl-3-[4-[2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]naphthalen-1-yl]carbazole

C49H32N4 — CID 163562263

IUPAC9-phenyl-3-[4-[2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]naphthalen-1-yl]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4cccnc4)c3)cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C49H32N4/c1-3-13-33(14-4-1)49-51-45(36-16-11-15-34(29-36)37-17-12-28-50-32-37)31-46(52-49)42-26-25-39(40-20-7-8-21-41(40)42)35-24-27-48-44(30-35)43-22-9-10-23-47(43)53(48)38-18-5-2-6-19-38/h1-32H
InChIKeyFSFLPBDLIOLOAN-UHFFFAOYSA-N
MW676.82 g/mol
LogP12.46
Rot. Bonds6

About 9-phenyl-3-[4-[2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]naphthalen-1-yl]carbazole

9-phenyl-3-[4-[2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]naphthalen-1-yl]carbazole (PubChem CID 163562263) has the molecular formula C49H32N4 and a molecular weight of 676.82 g/mol. Its IUPAC name is 9-phenyl-3-[4-[2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]naphthalen-1-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[4-[2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]naphthalen-1-yl]carbazole
PubChem CID163562263
Molecular FormulaC49H32N4
Molecular Weight676.82 g/mol
Exact Mass676.26
IUPAC Name9-phenyl-3-[4-[2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]naphthalen-1-yl]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4cccnc4)c3)cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C49H32N4/c1-3-13-33(14-4-1)49-51-45(36-16-11-15-34(29-36)37-17-12-28-50-32-37)31-46(52-49)42-26-25-39(40-20-7-8-21-41(40)42)35-24-27-48-44(30-35)43-22-9-10-23-47(43)53(48)38-18-5-2-6-19-38/h1-32H
InChIKeyFSFLPBDLIOLOAN-UHFFFAOYSA-N
XLogP12.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-9-phenylcarbazole
CID 167237857
3-[4-[4-(2,6-dipyridin-3-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 164843356
9-phenyl-3-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
CID 167237307
2-phenyl-4-(3-phenylphenyl)-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine
CID 165168510
3-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-6,9-diphenylcarbazole
CID 167237211
9-phenyl-3-[7-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole
CID 164843360
3-[3-(2,6-diphenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-9-phenylcarbazole;2,4-diphenyl-6-(4-triphenylen-2-ylnaphthalen-1-yl)-1,3,5-triazine;4,6-dipyridin-3-yl-2-(4-triphenylen-2-ylphenyl)pyrimidine;5-(3-triphenylen-2-ylphenyl)pyrido[3,2-b]indole
CID 161231693
3-[4-[6-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 58527032
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
8-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole
CID 118968815
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 160869531
3-[4-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-9-phenylcarbazole
CID 167237296

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[4-[2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]naphthalen-1-yl]carbazole?
The IUPAC name of 9-phenyl-3-[4-[2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]naphthalen-1-yl]carbazole (CID 163562263) is 9-phenyl-3-[4-[2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]naphthalen-1-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[4-[2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]naphthalen-1-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[4-[2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]naphthalen-1-yl]carbazole is c1ccc(-c2nc(-c3cccc(-c4cccnc4)c3)cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc34)n2)cc1.
What is the InChIKey of 9-phenyl-3-[4-[2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]naphthalen-1-yl]carbazole?
The InChIKey is FSFLPBDLIOLOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4/c1-3-13-33(14-4-1)49-51-45(36-16-11-15-34(29-36)37-17-12-28-50-32-37)31-46(52-49)42-26-25-39(40-20-7-8-21-41(40)42)35-24-27-48-44(30-35)43-22-9-10-23-47(43)53(48)38-18-5-2-6-19-38/h1-32H.
What are the key properties of 9-phenyl-3-[4-[2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]naphthalen-1-yl]carbazole?
9-phenyl-3-[4-[2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]naphthalen-1-yl]carbazole has a molecular weight of 676.82 g/mol, XLogP of 12.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[4-[2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]naphthalen-1-yl]carbazole is sourced from PubChem (CID 163562263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).