3-(5-pyridin-3-ylcyclohexa-2,4-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-9-[3-[3-[3-(5-pyridin-2-yl-3-pyridinyl)carbazol-9-yl]phenyl]phenyl]carbazole

C68H46N6 — CID 144737233

IUPAC3-(5-pyridin-3-ylcyclohexa-2,4-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-9-[3-[3-[3-(5-pyridin-2-yl-3-pyridinyl)carbazol-9-yl]phenyl]phenyl]carbazole
SMILESC1=CC(c2ccc3c(c2)c2cc(-c4cccc(-c5cccnc5)c4)ccc2n3-c2cccc(-c3cccc(-n4c5ccccc5c5cc(-c6cncc(-c7ccccn7)c6)ccc54)c3)c2)CC(c2cccnc2)=C1
InChIInChI=1S/C68H46N6/c1-2-23-65-60(21-1)61-40-53(56-35-57(44-71-43-56)64-22-3-4-32-72-64)26-29-66(61)73(65)58-19-7-15-49(36-58)50-16-8-20-59(37-50)74-67-27-24-51(45-11-5-13-47(33-45)54-17-9-30-69-41-54)38-62(67)63-39-52(25-28-68(63)74)46-12-6-14-48(34-46)55-18-10-31-70-42-55/h1-33,35-44,46H,34H2
InChIKeyJAWYILSGKUSJFV-UHFFFAOYSA-N
MW947.16 g/mol
LogP16.92
Rot. Bonds9

About 3-(5-pyridin-3-ylcyclohexa-2,4-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-9-[3-[3-[3-(5-pyridin-2-yl-3-pyridinyl)carbazol-9-yl]phenyl]phenyl]carbazole

3-(5-pyridin-3-ylcyclohexa-2,4-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-9-[3-[3-[3-(5-pyridin-2-yl-3-pyridinyl)carbazol-9-yl]phenyl]phenyl]carbazole (PubChem CID 144737233) has the molecular formula C68H46N6 and a molecular weight of 947.16 g/mol. Its IUPAC name is 3-(5-pyridin-3-ylcyclohexa-2,4-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-9-[3-[3-[3-(5-pyridin-2-yl-3-pyridinyl)carbazol-9-yl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3-(5-pyridin-3-ylcyclohexa-2,4-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-9-[3-[3-[3-(5-pyridin-2-yl-3-pyridinyl)carbazol-9-yl]phenyl]phenyl]carbazole
PubChem CID144737233
Molecular FormulaC68H46N6
Molecular Weight947.16 g/mol
Exact Mass946.38
IUPAC Name3-(5-pyridin-3-ylcyclohexa-2,4-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-9-[3-[3-[3-(5-pyridin-2-yl-3-pyridinyl)carbazol-9-yl]phenyl]phenyl]carbazole
SMILESC1=CC(c2ccc3c(c2)c2cc(-c4cccc(-c5cccnc5)c4)ccc2n3-c2cccc(-c3cccc(-n4c5ccccc5c5cc(-c6cncc(-c7ccccn7)c6)ccc54)c3)c2)CC(c2cccnc2)=C1
InChIInChI=1S/C68H46N6/c1-2-23-65-60(21-1)61-40-53(56-35-57(44-71-43-56)64-22-3-4-32-72-64)26-29-66(61)73(65)58-19-7-15-49(36-58)50-16-8-20-59(37-50)74-67-27-24-51(45-11-5-13-47(33-45)54-17-9-30-69-41-54)38-62(67)63-39-52(25-28-68(63)74)46-12-6-14-48(34-46)55-18-10-31-70-42-55/h1-33,35-44,46H,34H2
InChIKeyJAWYILSGKUSJFV-UHFFFAOYSA-N
XLogP16.92
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.16
LogP ≤ 516.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(5-pyridin-3-ylcyclohexa-2,4-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-9-[3-[3-[3-(5-pyridin-2-yl-3-pyridinyl)carbazol-9-yl]phenyl]phenyl]carbazole with MolForge

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Related Compounds

3-phenyl-6-[6-phenyl-9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-[5-[3-[3-(3-phenylphenyl)-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]cyclohexa-2,4-dien-1-yl]phenyl]carbazole
CID 177124486
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole
CID 71277989
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane
CID 144541414
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole
CID 126749641
8-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 129221984
9-[3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole
CID 122622889
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
2-(1-methyl-5-pyridin-3-ylbenzimidazol-2-yl)-6-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazole
CID 142329407
3-[3-[4,6-bis(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209024
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
7-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 129221946

Frequently Asked Questions

What is the IUPAC name of 3-(5-pyridin-3-ylcyclohexa-2,4-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-9-[3-[3-[3-(5-pyridin-2-yl-3-pyridinyl)carbazol-9-yl]phenyl]phenyl]carbazole?
The IUPAC name of 3-(5-pyridin-3-ylcyclohexa-2,4-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-9-[3-[3-[3-(5-pyridin-2-yl-3-pyridinyl)carbazol-9-yl]phenyl]phenyl]carbazole (CID 144737233) is 3-(5-pyridin-3-ylcyclohexa-2,4-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-9-[3-[3-[3-(5-pyridin-2-yl-3-pyridinyl)carbazol-9-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 3-(5-pyridin-3-ylcyclohexa-2,4-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-9-[3-[3-[3-(5-pyridin-2-yl-3-pyridinyl)carbazol-9-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 3-(5-pyridin-3-ylcyclohexa-2,4-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-9-[3-[3-[3-(5-pyridin-2-yl-3-pyridinyl)carbazol-9-yl]phenyl]phenyl]carbazole is C1=CC(c2ccc3c(c2)c2cc(-c4cccc(-c5cccnc5)c4)ccc2n3-c2cccc(-c3cccc(-n4c5ccccc5c5cc(-c6cncc(-c7ccccn7)c6)ccc54)c3)c2)CC(c2cccnc2)=C1.
What is the InChIKey of 3-(5-pyridin-3-ylcyclohexa-2,4-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-9-[3-[3-[3-(5-pyridin-2-yl-3-pyridinyl)carbazol-9-yl]phenyl]phenyl]carbazole?
The InChIKey is JAWYILSGKUSJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46N6/c1-2-23-65-60(21-1)61-40-53(56-35-57(44-71-43-56)64-22-3-4-32-72-64)26-29-66(61)73(65)58-19-7-15-49(36-58)50-16-8-20-59(37-50)74-67-27-24-51(45-11-5-13-47(33-45)54-17-9-30-69-41-54)38-62(67)63-39-52(25-28-68(63)74)46-12-6-14-48(34-46)55-18-10-31-70-42-55/h1-33,35-44,46H,34H2.
What are the key properties of 3-(5-pyridin-3-ylcyclohexa-2,4-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-9-[3-[3-[3-(5-pyridin-2-yl-3-pyridinyl)carbazol-9-yl]phenyl]phenyl]carbazole?
3-(5-pyridin-3-ylcyclohexa-2,4-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-9-[3-[3-[3-(5-pyridin-2-yl-3-pyridinyl)carbazol-9-yl]phenyl]phenyl]carbazole has a molecular weight of 947.16 g/mol, XLogP of 16.92, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pyridin-3-ylcyclohexa-2,4-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-9-[3-[3-[3-(5-pyridin-2-yl-3-pyridinyl)carbazol-9-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 144737233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).