9-phenyl-3-[4-[4-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole

C53H34N4 — CID 168797176

IUPAC9-phenyl-3-[4-[4-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c4ccccc34)nc(-c3ccc4ccccc4n3)n2)cc1
InChIInChI=1S/C53H34N4/c1-3-13-37(14-4-1)49-34-50(56-53(55-49)48-31-27-38-15-7-11-21-47(38)54-48)44-30-29-41(42-18-8-9-19-43(42)44)36-25-23-35(24-26-36)39-28-32-52-46(33-39)45-20-10-12-22-51(45)57(52)40-16-5-2-6-17-40/h1-34H
InChIKeyRWBVKNUAEIUPCO-UHFFFAOYSA-N
MW726.88 g/mol
LogP13.61
Rot. Bonds6

About 9-phenyl-3-[4-[4-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole

9-phenyl-3-[4-[4-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole (PubChem CID 168797176) has the molecular formula C53H34N4 and a molecular weight of 726.88 g/mol. Its IUPAC name is 9-phenyl-3-[4-[4-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[4-[4-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole
PubChem CID168797176
Molecular FormulaC53H34N4
Molecular Weight726.88 g/mol
Exact Mass726.28
IUPAC Name9-phenyl-3-[4-[4-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c4ccccc34)nc(-c3ccc4ccccc4n3)n2)cc1
InChIInChI=1S/C53H34N4/c1-3-13-37(14-4-1)49-34-50(56-53(55-49)48-31-27-38-15-7-11-21-47(38)54-48)44-30-29-41(42-18-8-9-19-43(42)44)36-25-23-35(24-26-36)39-28-32-52-46(33-39)45-20-10-12-22-51(45)57(52)40-16-5-2-6-17-40/h1-34H
InChIKeyRWBVKNUAEIUPCO-UHFFFAOYSA-N
XLogP13.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-phenyl-3-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
CID 167237307
3-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-6,9-diphenylcarbazole
CID 167237211
3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-2-ylphenyl)carbazole
CID 118067290
9-phenyl-3-(3-quinolin-2-ylphenyl)carbazole
CID 157225211
2-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-6-phenylpyrimidin-2-yl]quinoline
CID 170000154
9-[3-carbazol-9-yl-5-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)phenyl]carbazole
CID 168797170
3-[9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158332871
3-(6,9-diphenylcarbazol-3-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylcarbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 161143744
3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913
3-[3-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-9-phenylcarbazole
CID 167237857
9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]naphthalen-1-yl]phenyl]carbazole
CID 167237400
3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
CID 70934573

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[4-[4-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole?
The IUPAC name of 9-phenyl-3-[4-[4-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole (CID 168797176) is 9-phenyl-3-[4-[4-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole.
What is the SMILES notation for 9-phenyl-3-[4-[4-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole?
The canonical SMILES for 9-phenyl-3-[4-[4-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c4ccccc34)nc(-c3ccc4ccccc4n3)n2)cc1.
What is the InChIKey of 9-phenyl-3-[4-[4-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole?
The InChIKey is RWBVKNUAEIUPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4/c1-3-13-37(14-4-1)49-34-50(56-53(55-49)48-31-27-38-15-7-11-21-47(38)54-48)44-30-29-41(42-18-8-9-19-43(42)44)36-25-23-35(24-26-36)39-28-32-52-46(33-39)45-20-10-12-22-51(45)57(52)40-16-5-2-6-17-40/h1-34H.
What are the key properties of 9-phenyl-3-[4-[4-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole?
9-phenyl-3-[4-[4-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole has a molecular weight of 726.88 g/mol, XLogP of 13.61, 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-[4-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole is sourced from PubChem (CID 168797176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).