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

C64H40N6 — CID 171578340

IUPAC2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4-c4nc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)n4)cc32)cc1
InChIInChI=1S/C64H40N6/c1-2-19-42(20-3-1)67-52-29-11-4-27-50(52)51-38-37-41(39-60(51)67)43-28-18-36-59(68-53-30-12-5-21-44(53)45-22-6-13-31-54(45)68)63(43)64-65-61(69-55-32-14-7-23-46(55)47-24-8-15-33-56(47)69)40-62(66-64)70-57-34-16-9-25-48(57)49-26-10-17-35-58(49)70/h1-40H
InChIKeyVSFRABYPMPMSOC-UHFFFAOYSA-N
MW893.07 g/mol
LogP16.20
Rot. Bonds6

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

2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-9-phenylcarbazole (PubChem CID 171578340) has the molecular formula C64H40N6 and a molecular weight of 893.07 g/mol. Its IUPAC name is 2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-9-phenylcarbazole
PubChem CID171578340
Molecular FormulaC64H40N6
Molecular Weight893.07 g/mol
Exact Mass892.33
IUPAC Name2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4-c4nc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)n4)cc32)cc1
InChIInChI=1S/C64H40N6/c1-2-19-42(20-3-1)67-52-29-11-4-27-50(52)51-38-37-41(39-60(51)67)43-28-18-36-59(68-53-30-12-5-21-44(53)45-22-6-13-31-54(45)68)63(43)64-65-61(69-55-32-14-7-23-46(55)47-24-8-15-33-56(47)69)40-62(66-64)70-57-34-16-9-25-48(57)49-26-10-17-35-58(49)70/h1-40H
InChIKeyVSFRABYPMPMSOC-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

9-[6-carbazol-9-yl-2-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]pyrimidin-4-yl]carbazole
CID 171578671
2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)-2-pyridinyl]phenyl]-9-phenylcarbazole
CID 171578221
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
3-[3-carbazol-9-yl-2-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 171578191
2-phenyl-9-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]carbazole
CID 166037119
4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole
CID 170386628
2-carbazol-9-yl-1-[2,6-di(carbazol-9-yl)-4-pyridinyl]-9-phenylcarbazole
CID 153496528
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
2-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzonitrile
CID 139495914
2-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404973
2-(9-phenylcarbazol-2-yl)-9-[2-(2-phenylphenyl)phenyl]carbazole
CID 142315018
3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 130326007

Frequently Asked Questions

What is the IUPAC name of 2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-9-phenylcarbazole (CID 171578340) is 2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4-c4nc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)n4)cc32)cc1.
What is the InChIKey of 2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-9-phenylcarbazole?
The InChIKey is VSFRABYPMPMSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N6/c1-2-19-42(20-3-1)67-52-29-11-4-27-50(52)51-38-37-41(39-60(51)67)43-28-18-36-59(68-53-30-12-5-21-44(53)45-22-6-13-31-54(45)68)63(43)64-65-61(69-55-32-14-7-23-46(55)47-24-8-15-33-56(47)69)40-62(66-64)70-57-34-16-9-25-48(57)49-26-10-17-35-58(49)70/h1-40H.
What are the key properties of 2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-9-phenylcarbazole?
2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-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 2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 171578340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).