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

C54H35N3 — CID 167237857

IUPAC3-[3-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)cc(-c3ccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c4ccccc34)n2)cc1
InChIInChI=1S/C54H35N3/c1-3-16-37(17-4-1)54-55-50(46-27-14-18-36-15-7-8-23-42(36)46)35-51(56-54)47-31-30-43(44-24-9-10-25-45(44)47)40-20-13-19-38(33-40)39-29-32-53-49(34-39)48-26-11-12-28-52(48)57(53)41-21-5-2-6-22-41/h1-35H
InChIKeyHLSYKSZMOYNFRT-UHFFFAOYSA-N
MW725.90 g/mol
LogP14.22
Rot. Bonds6

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

3-[3-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-9-phenylcarbazole (PubChem CID 167237857) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 3-[3-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-9-phenylcarbazole
PubChem CID167237857
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC Name3-[3-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)cc(-c3ccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c4ccccc34)n2)cc1
InChIInChI=1S/C54H35N3/c1-3-16-37(17-4-1)54-55-50(46-27-14-18-36-15-7-8-23-42(36)46)35-51(56-54)47-31-30-43(44-24-9-10-25-45(44)47)40-20-13-19-38(33-40)39-29-32-53-49(34-39)48-26-11-12-28-52(48)57(53)41-21-5-2-6-22-41/h1-35H
InChIKeyHLSYKSZMOYNFRT-UHFFFAOYSA-N
XLogP14.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.90
LogP ≤ 514.22
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
9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 58971485
9-phenyl-3-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
CID 167237307
3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71287137
2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71287046
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 159858070
9-phenyl-3-[4-[2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]naphthalen-1-yl]carbazole
CID 163562263
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
3-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-6,9-diphenylcarbazole
CID 167237211
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
9-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole;9-[4-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;9-[4-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 158118562
9-(3-carbazol-9-ylphenyl)-2-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]carbazole
CID 90209075

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-9-phenylcarbazole (CID 167237857) is 3-[3-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-9-phenylcarbazole is c1ccc(-c2nc(-c3cccc4ccccc34)cc(-c3ccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c4ccccc34)n2)cc1.
What is the InChIKey of 3-[3-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-9-phenylcarbazole?
The InChIKey is HLSYKSZMOYNFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-3-16-37(17-4-1)54-55-50(46-27-14-18-36-15-7-8-23-42(36)46)35-51(56-54)47-31-30-43(44-24-9-10-25-45(44)47)40-20-13-19-38(33-40)39-29-32-53-49(34-39)48-26-11-12-28-52(48)57(53)41-21-5-2-6-22-41/h1-35H.
What are the key properties of 3-[3-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-9-phenylcarbazole?
3-[3-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-9-phenylcarbazole has a molecular weight of 725.90 g/mol, XLogP of 14.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 167237857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).