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

C56H37N3 — CID 167237211

IUPAC3-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-6,9-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c6ccccc56)cc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C56H37N3/c1-5-15-38(16-6-1)43-29-33-54-50(35-43)51-36-44(30-34-55(51)59(54)45-21-11-4-12-22-45)39-25-27-40(28-26-39)46-31-32-49(48-24-14-13-23-47(46)48)53-37-52(41-17-7-2-8-18-41)57-56(58-53)42-19-9-3-10-20-42/h1-37H
InChIKeyRMMVEXXZNVCKMQ-UHFFFAOYSA-N
MW751.93 g/mol
LogP14.73
Rot. Bonds7

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

3-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-6,9-diphenylcarbazole (PubChem CID 167237211) has the molecular formula C56H37N3 and a molecular weight of 751.93 g/mol. Its IUPAC name is 3-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-6,9-diphenylcarbazole.

Molecular Properties

Compound Name3-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-6,9-diphenylcarbazole
PubChem CID167237211
Molecular FormulaC56H37N3
Molecular Weight751.93 g/mol
Exact Mass751.30
IUPAC Name3-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-6,9-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c6ccccc56)cc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C56H37N3/c1-5-15-38(16-6-1)43-29-33-54-50(35-43)51-36-44(30-34-55(51)59(54)45-21-11-4-12-22-45)39-25-27-40(28-26-39)46-31-32-49(48-24-14-13-23-47(46)48)53-37-52(41-17-7-2-8-18-41)57-56(58-53)42-19-9-3-10-20-42/h1-37H
InChIKeyRMMVEXXZNVCKMQ-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

9-phenyl-3-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
CID 167237307
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-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 58971485
9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]naphthalen-1-yl]phenyl]carbazole
CID 167237400
3-carbazol-9-yl-9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole
CID 162231924
3-[4-[6-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 58527032
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164
9-(3-carbazol-9-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-carbazol-9-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 158945712
9-phenyl-3-[4-[4-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole
CID 168797176
3-[3-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-9-phenylcarbazole
CID 167237857
1-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149305

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-6,9-diphenylcarbazole?
The IUPAC name of 3-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-6,9-diphenylcarbazole (CID 167237211) is 3-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-6,9-diphenylcarbazole.
What is the SMILES notation for 3-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-6,9-diphenylcarbazole?
The canonical SMILES for 3-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-6,9-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c6ccccc56)cc4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 3-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-6,9-diphenylcarbazole?
The InChIKey is RMMVEXXZNVCKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N3/c1-5-15-38(16-6-1)43-29-33-54-50(35-43)51-36-44(30-34-55(51)59(54)45-21-11-4-12-22-45)39-25-27-40(28-26-39)46-31-32-49(48-24-14-13-23-47(46)48)53-37-52(41-17-7-2-8-18-41)57-56(58-53)42-19-9-3-10-20-42/h1-37H.
What are the key properties of 3-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-6,9-diphenylcarbazole?
3-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-6,9-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 3-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-6,9-diphenylcarbazole is sourced from PubChem (CID 167237211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).