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

C65H41N5 — CID 171578221

IUPAC2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)-2-pyridinyl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)n4)cc32)cc1
InChIInChI=1S/C65H41N5/c1-2-19-43(20-3-1)67-55-29-11-6-27-52(55)53-38-37-42(39-63(53)67)45-28-18-36-62(69-58-32-14-7-23-48(58)49-24-8-15-33-59(49)69)65(45)54-40-44(68-56-30-12-4-21-46(56)47-22-5-13-31-57(47)68)41-64(66-54)70-60-34-16-9-25-50(60)51-26-10-17-35-61(51)70/h1-41H
InChIKeyRJINQGODORIURN-UHFFFAOYSA-N
MW892.08 g/mol
LogP16.80
Rot. Bonds6

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

2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)-2-pyridinyl]phenyl]-9-phenylcarbazole (PubChem CID 171578221) has the molecular formula C65H41N5 and a molecular weight of 892.08 g/mol. Its IUPAC name is 2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)-2-pyridinyl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)-2-pyridinyl]phenyl]-9-phenylcarbazole
PubChem CID171578221
Molecular FormulaC65H41N5
Molecular Weight892.08 g/mol
Exact Mass891.34
IUPAC Name2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)-2-pyridinyl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)n4)cc32)cc1
InChIInChI=1S/C65H41N5/c1-2-19-43(20-3-1)67-55-29-11-6-27-52(55)53-38-37-42(39-63(53)67)45-28-18-36-62(69-58-32-14-7-23-48(58)49-24-8-15-33-59(49)69)65(45)54-40-44(68-56-30-12-4-21-46(56)47-22-5-13-31-57(47)68)41-64(66-54)70-60-34-16-9-25-50(60)51-26-10-17-35-61(51)70/h1-41H
InChIKeyRJINQGODORIURN-UHFFFAOYSA-N
XLogP16.80
TPSA32.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.08
LogP ≤ 516.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-9-phenylcarbazole
CID 171578340
3-[3-carbazol-9-yl-2-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 171578191
9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]-2-pyridinyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578216
9-[2-(2-carbazol-9-yl-6-dibenzofuran-3-ylphenyl)-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)-4-pyridinyl]-1,2,3,4-tetradeuteriocarbazole
CID 171578359
9-[2-carbazol-9-yl-6-[2-carbazol-9-yl-6-(9-phenylcarbazol-4-yl)phenyl]-4-pyridinyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578503
9-[6-carbazol-9-yl-2-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]pyrimidin-4-yl]carbazole
CID 171578671
9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole
CID 171578181
2-phenyl-9-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]carbazole
CID 166037119
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-carbazol-9-yl-1-[2,6-di(carbazol-9-yl)-4-pyridinyl]-9-phenylcarbazole
CID 153496528
4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole
CID 170386628
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)-2-pyridinyl]phenyl]-9-phenylcarbazole?
The IUPAC name of 2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)-2-pyridinyl]phenyl]-9-phenylcarbazole (CID 171578221) is 2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)-2-pyridinyl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)-2-pyridinyl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)-2-pyridinyl]phenyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)n4)cc32)cc1.
What is the InChIKey of 2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)-2-pyridinyl]phenyl]-9-phenylcarbazole?
The InChIKey is RJINQGODORIURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41N5/c1-2-19-43(20-3-1)67-55-29-11-6-27-52(55)53-38-37-42(39-63(53)67)45-28-18-36-62(69-58-32-14-7-23-48(58)49-24-8-15-33-59(49)69)65(45)54-40-44(68-56-30-12-4-21-46(56)47-22-5-13-31-57(47)68)41-64(66-54)70-60-34-16-9-25-50(60)51-26-10-17-35-61(51)70/h1-41H.
What are the key properties of 2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)-2-pyridinyl]phenyl]-9-phenylcarbazole?
2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)-2-pyridinyl]phenyl]-9-phenylcarbazole has a molecular weight of 892.08 g/mol, XLogP of 16.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)-2-pyridinyl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 171578221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).