2-[2-carbazol-9-yl-6-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole

C62H39N7 — CID 165167503

IUPAC2-[2-carbazol-9-yl-6-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cc(-c5cccc(-c6cccc(-c7cccc(-n8c9ccccc9c9ccccc98)n7)n6)n5)nc(-n5c6ccccc6c6ccccc65)c4)cc32)cc1
InChIInChI=1S/C62H39N7/c1-2-17-42(18-3-1)67-55-29-9-4-23-47(55)48-36-35-40(38-60(48)67)41-37-54(66-62(39-41)69-58-32-12-7-21-45(58)46-22-8-13-33-59(46)69)53-27-15-25-50(64-53)49-24-14-26-51(63-49)52-28-16-34-61(65-52)68-56-30-10-5-19-43(56)44-20-6-11-31-57(44)68/h1-39H
InChIKeyJFQNQZJGHPTGFP-UHFFFAOYSA-N
MW882.04 g/mol
LogP15.23
Rot. Bonds7

About 2-[2-carbazol-9-yl-6-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole

2-[2-carbazol-9-yl-6-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole (PubChem CID 165167503) has the molecular formula C62H39N7 and a molecular weight of 882.04 g/mol. Its IUPAC name is 2-[2-carbazol-9-yl-6-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[2-carbazol-9-yl-6-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole
PubChem CID165167503
Molecular FormulaC62H39N7
Molecular Weight882.04 g/mol
Exact Mass881.33
IUPAC Name2-[2-carbazol-9-yl-6-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cc(-c5cccc(-c6cccc(-c7cccc(-n8c9ccccc9c9ccccc98)n7)n6)n5)nc(-n5c6ccccc6c6ccccc65)c4)cc32)cc1
InChIInChI=1S/C62H39N7/c1-2-17-42(18-3-1)67-55-29-9-4-23-47(55)48-36-35-40(38-60(48)67)41-37-54(66-62(39-41)69-58-32-12-7-21-45(58)46-22-8-13-33-59(46)69)53-27-15-25-50(64-53)49-24-14-26-51(63-49)52-28-16-34-61(65-52)68-56-30-10-5-19-43(56)44-20-6-11-31-57(44)68/h1-39H
InChIKeyJFQNQZJGHPTGFP-UHFFFAOYSA-N
XLogP15.23
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.04
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 71286771
9-[6-[6-[6-[6-carbazol-9-yl-4-(3-phenylphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(3-phenylphenyl)-2-pyridinyl]carbazole
CID 165167516
9-[6-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-phenyl-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbazole
CID 138513651
5-[4-(3-phenylphenyl)phenyl]-11-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]indolo[3,2-b]carbazole
CID 121385503
9-[6-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-3-phenylcarbazole
CID 165167529
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(4,6-diphenyl-2-pyridinyl)carbazole
CID 71286768
9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-(4,6-diphenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 165167552
5-phenyl-11-(6-phenyl-2-pyridinyl)indolo[3,2-b]carbazole
CID 58570053
3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole
CID 126764108
9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 166019341
2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenyl-5-pyridin-4-ylphenyl)carbazole
CID 160825016
3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-phenylcarbazole;2-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;2-(9-phenylcarbazol-3-yl)-9-(3-phenyl-5-pyridin-4-ylphenyl)carbazole;3-[9-(3-phenylphenyl)carbazol-2-yl]-9-(3-phenyl-5-pyridin-4-ylphenyl)carbazole
CID 161065630

Frequently Asked Questions

What is the IUPAC name of 2-[2-carbazol-9-yl-6-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole?
The IUPAC name of 2-[2-carbazol-9-yl-6-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole (CID 165167503) is 2-[2-carbazol-9-yl-6-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole.
What is the SMILES notation for 2-[2-carbazol-9-yl-6-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole?
The canonical SMILES for 2-[2-carbazol-9-yl-6-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4cc(-c5cccc(-c6cccc(-c7cccc(-n8c9ccccc9c9ccccc98)n7)n6)n5)nc(-n5c6ccccc6c6ccccc65)c4)cc32)cc1.
What is the InChIKey of 2-[2-carbazol-9-yl-6-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole?
The InChIKey is JFQNQZJGHPTGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N7/c1-2-17-42(18-3-1)67-55-29-9-4-23-47(55)48-36-35-40(38-60(48)67)41-37-54(66-62(39-41)69-58-32-12-7-21-45(58)46-22-8-13-33-59(46)69)53-27-15-25-50(64-53)49-24-14-26-51(63-49)52-28-16-34-61(65-52)68-56-30-10-5-19-43(56)44-20-6-11-31-57(44)68/h1-39H.
What are the key properties of 2-[2-carbazol-9-yl-6-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole?
2-[2-carbazol-9-yl-6-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole has a molecular weight of 882.04 g/mol, XLogP of 15.23, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carbazol-9-yl-6-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole is sourced from PubChem (CID 165167503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).