9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylcarbazole

C56H37N3 — CID 58971485

IUPAC9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3ccc(-c4cc(-c5cccc6ccccc56)nc(-c5ccccc5)n4)cc3)cc2)cc1
InChIInChI=1S/C56H37N3/c1-4-13-38(14-5-1)45-29-33-54-50(35-45)51-36-46(39-15-6-2-7-16-39)30-34-55(51)59(54)47-31-27-41(28-32-47)40-23-25-43(26-24-40)52-37-53(58-56(57-52)44-18-8-3-9-19-44)49-22-12-20-42-17-10-11-21-48(42)49/h1-37H
InChIKeyQADGNDRPHMAQJR-UHFFFAOYSA-N
MW751.93 g/mol
LogP14.73
Rot. Bonds7

About 9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylcarbazole

9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylcarbazole (PubChem CID 58971485) has the molecular formula C56H37N3 and a molecular weight of 751.93 g/mol. Its IUPAC name is 9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylcarbazole
PubChem CID58971485
Molecular FormulaC56H37N3
Molecular Weight751.93 g/mol
Exact Mass751.30
IUPAC Name9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3ccc(-c4cc(-c5cccc6ccccc56)nc(-c5ccccc5)n4)cc3)cc2)cc1
InChIInChI=1S/C56H37N3/c1-4-13-38(14-5-1)45-29-33-54-50(35-45)51-36-46(39-15-6-2-7-16-39)30-34-55(51)59(54)47-31-27-41(28-32-47)40-23-25-43(26-24-40)52-37-53(58-56(57-52)44-18-8-3-9-19-44)49-22-12-20-42-17-10-11-21-48(42)49/h1-37H
InChIKeyQADGNDRPHMAQJR-UHFFFAOYSA-N
XLogP14.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.93
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511258
2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71287046
3-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-6,9-diphenylcarbazole
CID 167237211
3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71287137
3-[3-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-9-phenylcarbazole
CID 167237857
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
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164
3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159623630
9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazole;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 159286250
8-[4-[6-naphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole;5-(4-phenylphenyl)-8-[4-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]pyrido[4,3-b]indole
CID 158697190
9-phenyl-3-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
CID 167237307

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylcarbazole (CID 58971485) is 9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3ccc(-c4cc(-c5cccc6ccccc56)nc(-c5ccccc5)n4)cc3)cc2)cc1.
What is the InChIKey of 9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylcarbazole?
The InChIKey is QADGNDRPHMAQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N3/c1-4-13-38(14-5-1)45-29-33-54-50(35-45)51-36-46(39-15-6-2-7-16-39)30-34-55(51)59(54)47-31-27-41(28-32-47)40-23-25-43(26-24-40)52-37-53(58-56(57-52)44-18-8-3-9-19-44)49-22-12-20-42-17-10-11-21-48(42)49/h1-37H.
What are the key properties of 9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylcarbazole?
9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylcarbazole has a molecular weight of 751.93 g/mol, XLogP of 14.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 58971485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).