3-(9-phenylcarbazol-3-yl)-9-[4-[5-(3-phenylphenyl)-3-pyridinyl]pyrimidin-2-yl]carbazole

C51H33N5 — CID 90086381

IUPAC3-(9-phenylcarbazol-3-yl)-9-[4-[5-(3-phenylphenyl)-3-pyridinyl]pyrimidin-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cncc(-c4ccnc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)c3)c2)cc1
InChIInChI=1S/C51H33N5/c1-3-12-34(13-4-1)35-14-11-15-36(28-35)39-29-40(33-52-32-39)46-26-27-53-51(54-46)56-48-21-10-8-19-43(48)45-31-38(23-25-50(45)56)37-22-24-49-44(30-37)42-18-7-9-20-47(42)55(49)41-16-5-2-6-17-41/h1-33H
InChIKeyWEHVQSHPVHDDOF-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.73
Rot. Bonds6

About 3-(9-phenylcarbazol-3-yl)-9-[4-[5-(3-phenylphenyl)-3-pyridinyl]pyrimidin-2-yl]carbazole

3-(9-phenylcarbazol-3-yl)-9-[4-[5-(3-phenylphenyl)-3-pyridinyl]pyrimidin-2-yl]carbazole (PubChem CID 90086381) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-[4-[5-(3-phenylphenyl)-3-pyridinyl]pyrimidin-2-yl]carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)-9-[4-[5-(3-phenylphenyl)-3-pyridinyl]pyrimidin-2-yl]carbazole
PubChem CID90086381
Molecular FormulaC51H33N5
Molecular Weight715.86 g/mol
Exact Mass715.27
IUPAC Name3-(9-phenylcarbazol-3-yl)-9-[4-[5-(3-phenylphenyl)-3-pyridinyl]pyrimidin-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cncc(-c4ccnc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)c3)c2)cc1
InChIInChI=1S/C51H33N5/c1-3-12-34(13-4-1)35-14-11-15-36(28-35)39-29-40(33-52-32-39)46-26-27-53-51(54-46)56-48-21-10-8-19-43(48)45-31-38(23-25-50(45)56)37-22-24-49-44(30-37)42-18-7-9-20-47(42)55(49)41-16-5-2-6-17-41/h1-33H
InChIKeyWEHVQSHPVHDDOF-UHFFFAOYSA-N
XLogP12.73
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,9-diphenyl-6-[9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-3-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)pyrimidin-2-yl]carbazole
CID 158736028
3-(9-phenylcarbazol-2-yl)-9-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 118028979
2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 118083964
9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-3-pyridinyl]carbazole
CID 141339083
9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 159084333
3-[4-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 90182891
3-(9-ethylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 90086417
3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole
CID 90182892
3-(9-phenylcarbazol-3-yl)-9-[5-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 90086331
11,11-dimethyl-5-phenyl-2-[9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]indeno[1,2-b]carbazole
CID 90050448
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-[4-(2-methylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 159021278
3-[9-[4-[3-[4-(4-tert-butylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;[4-[3-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]-dimethyl-phenylsilane
CID 157487848

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[4-[5-(3-phenylphenyl)-3-pyridinyl]pyrimidin-2-yl]carbazole?
The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[4-[5-(3-phenylphenyl)-3-pyridinyl]pyrimidin-2-yl]carbazole (CID 90086381) is 3-(9-phenylcarbazol-3-yl)-9-[4-[5-(3-phenylphenyl)-3-pyridinyl]pyrimidin-2-yl]carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-[4-[5-(3-phenylphenyl)-3-pyridinyl]pyrimidin-2-yl]carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-[4-[5-(3-phenylphenyl)-3-pyridinyl]pyrimidin-2-yl]carbazole is c1ccc(-c2cccc(-c3cncc(-c4ccnc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)c3)c2)cc1.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-[4-[5-(3-phenylphenyl)-3-pyridinyl]pyrimidin-2-yl]carbazole?
The InChIKey is WEHVQSHPVHDDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-3-12-34(13-4-1)35-14-11-15-36(28-35)39-29-40(33-52-32-39)46-26-27-53-51(54-46)56-48-21-10-8-19-43(48)45-31-38(23-25-50(45)56)37-22-24-49-44(30-37)42-18-7-9-20-47(42)55(49)41-16-5-2-6-17-41/h1-33H.
What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-[4-[5-(3-phenylphenyl)-3-pyridinyl]pyrimidin-2-yl]carbazole?
3-(9-phenylcarbazol-3-yl)-9-[4-[5-(3-phenylphenyl)-3-pyridinyl]pyrimidin-2-yl]carbazole has a molecular weight of 715.86 g/mol, XLogP of 12.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenylcarbazol-3-yl)-9-[4-[5-(3-phenylphenyl)-3-pyridinyl]pyrimidin-2-yl]carbazole is sourced from PubChem (CID 90086381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).