3-[3-carbazol-9-yl-2-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole

C64H40N6 — CID 171578191

IUPAC3-[3-carbazol-9-yl-2-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)ccc32)cc1
InChIInChI=1S/C64H40N6/c1-2-19-42(20-3-1)67-53-29-11-10-27-50(53)51-39-41(37-38-60(51)67)43-28-18-36-61(68-54-30-12-4-21-44(54)45-22-5-13-31-55(45)68)63(43)52-40-62(69-56-32-14-6-23-46(56)47-24-7-15-33-57(47)69)66-64(65-52)70-58-34-16-8-25-48(58)49-26-9-17-35-59(49)70/h1-40H
InChIKeyPMQZCPKTFNILAR-UHFFFAOYSA-N
MW893.07 g/mol
LogP16.20
Rot. Bonds6

About 3-[3-carbazol-9-yl-2-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole

3-[3-carbazol-9-yl-2-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole (PubChem CID 171578191) has the molecular formula C64H40N6 and a molecular weight of 893.07 g/mol. Its IUPAC name is 3-[3-carbazol-9-yl-2-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-carbazol-9-yl-2-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole
PubChem CID171578191
Molecular FormulaC64H40N6
Molecular Weight893.07 g/mol
Exact Mass892.33
IUPAC Name3-[3-carbazol-9-yl-2-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)ccc32)cc1
InChIInChI=1S/C64H40N6/c1-2-19-42(20-3-1)67-53-29-11-10-27-50(53)51-39-41(37-38-60(51)67)43-28-18-36-61(68-54-30-12-4-21-44(54)45-22-5-13-31-55(45)68)63(43)52-40-62(69-56-32-14-6-23-46(56)47-24-7-15-33-57(47)69)66-64(65-52)70-58-34-16-8-25-48(58)49-26-9-17-35-59(49)70/h1-40H
InChIKeyPMQZCPKTFNILAR-UHFFFAOYSA-N
XLogP16.20
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.07
LogP ≤ 516.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[9-[4-(2,6-diphenylphenyl)-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 134236901
9-[4-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole
CID 171578630
9-[4-[2,6-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]naphthalen-1-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126630673
2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)-2-pyridinyl]phenyl]-9-phenylcarbazole
CID 171578221
3-(9-phenylcarbazol-3-yl)-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-phenylphenyl)pyrimidin-2-yl]carbazole
CID 134236891
9-[4-[2-carbazol-9-yl-6-(9-phenylcarbazol-4-yl)phenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole
CID 171578202
2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-9-phenylcarbazole
CID 171578340
9-[2,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole;9-[4,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 158402871
9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171578692
9-[6-carbazol-9-yl-2-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]pyrimidin-4-yl]carbazole
CID 171578671
3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764137
9-[7-[2,6-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126630678

Frequently Asked Questions

What is the IUPAC name of 3-[3-carbazol-9-yl-2-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-carbazol-9-yl-2-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole (CID 171578191) is 3-[3-carbazol-9-yl-2-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-carbazol-9-yl-2-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-carbazol-9-yl-2-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)ccc32)cc1.
What is the InChIKey of 3-[3-carbazol-9-yl-2-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole?
The InChIKey is PMQZCPKTFNILAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N6/c1-2-19-42(20-3-1)67-53-29-11-10-27-50(53)51-39-41(37-38-60(51)67)43-28-18-36-61(68-54-30-12-4-21-44(54)45-22-5-13-31-55(45)68)63(43)52-40-62(69-56-32-14-6-23-46(56)47-24-7-15-33-57(47)69)66-64(65-52)70-58-34-16-8-25-48(58)49-26-9-17-35-59(49)70/h1-40H.
What are the key properties of 3-[3-carbazol-9-yl-2-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole?
3-[3-carbazol-9-yl-2-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole has a molecular weight of 893.07 g/mol, XLogP of 16.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-carbazol-9-yl-2-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 171578191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).