9-phenyl-3,6-bis(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole

C48H31N7 — CID 167146293

IUPAC9-phenyl-3,6-bis(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccncc3)cc(-c3ccc4c(c3)c3cc(-c5cc(-c6ccncc6)nc(-c6ccccc6)n5)ccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C48H31N7/c1-4-10-34(11-5-1)47-51-41(32-20-24-49-25-21-32)30-43(53-47)36-16-18-45-39(28-36)40-29-37(17-19-46(40)55(45)38-14-8-3-9-15-38)44-31-42(33-22-26-50-27-23-33)52-48(54-44)35-12-6-2-7-13-35/h1-31H
InChIKeyZIJWFQCCBOUGDZ-UHFFFAOYSA-N
MW705.83 g/mol
LogP11.16
Rot. Bonds7

About 9-phenyl-3,6-bis(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole

9-phenyl-3,6-bis(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole (PubChem CID 167146293) has the molecular formula C48H31N7 and a molecular weight of 705.83 g/mol. Its IUPAC name is 9-phenyl-3,6-bis(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-3,6-bis(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole
PubChem CID167146293
Molecular FormulaC48H31N7
Molecular Weight705.83 g/mol
Exact Mass705.26
IUPAC Name9-phenyl-3,6-bis(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccncc3)cc(-c3ccc4c(c3)c3cc(-c5cc(-c6ccncc6)nc(-c6ccccc6)n5)ccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C48H31N7/c1-4-10-34(11-5-1)47-51-41(32-20-24-49-25-21-32)30-43(53-47)36-16-18-45-39(28-36)40-29-37(17-19-46(40)55(45)38-14-8-3-9-15-38)44-31-42(33-22-26-50-27-23-33)52-48(54-44)35-12-6-2-7-13-35/h1-31H
InChIKeyZIJWFQCCBOUGDZ-UHFFFAOYSA-N
XLogP11.16
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.83
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole
CID 118968815
9-[3-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 130465926
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-[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
9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 118698991
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164
8-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-phenylpyrido[4,3-b]indole;5-phenyl-8-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]pyrido[4,3-b]indole
CID 161187097
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole;9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 159465989
3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118699027
9-phenyl-3-[10-[4-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]carbazole
CID 164843390
3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-4-pyridin-4-yl-2-pyridinyl)phenyl]carbazole
CID 144537302
3-[4-[6-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 58527032

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3,6-bis(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole?
The IUPAC name of 9-phenyl-3,6-bis(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole (CID 167146293) is 9-phenyl-3,6-bis(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole.
What is the SMILES notation for 9-phenyl-3,6-bis(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole?
The canonical SMILES for 9-phenyl-3,6-bis(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole is c1ccc(-c2nc(-c3ccncc3)cc(-c3ccc4c(c3)c3cc(-c5cc(-c6ccncc6)nc(-c6ccccc6)n5)ccc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 9-phenyl-3,6-bis(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole?
The InChIKey is ZIJWFQCCBOUGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N7/c1-4-10-34(11-5-1)47-51-41(32-20-24-49-25-21-32)30-43(53-47)36-16-18-45-39(28-36)40-29-37(17-19-46(40)55(45)38-14-8-3-9-15-38)44-31-42(33-22-26-50-27-23-33)52-48(54-44)35-12-6-2-7-13-35/h1-31H.
What are the key properties of 9-phenyl-3,6-bis(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole?
9-phenyl-3,6-bis(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole has a molecular weight of 705.83 g/mol, XLogP of 11.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3,6-bis(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole is sourced from PubChem (CID 167146293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).