6-(9,9-dimethylfluoren-1-yl)-9-(3,5-diphenylphenyl)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole

C66H46N4 — CID 145327834

IUPAC6-(9,9-dimethylfluoren-1-yl)-9-(3,5-diphenylphenyl)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc4c(c3)c3ccc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)cc5)cc3n4-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c21
InChIInChI=1S/C66H46N4/c1-66(2)58-23-10-9-20-54(58)56-22-15-21-53(65(56)66)48-31-33-63-57(39-48)55-32-30-47(42-64(55)70(63)52-37-49(43-16-5-3-6-17-43)36-50(38-52)44-18-7-4-8-19-44)45-26-28-46(29-27-45)51-40-61(59-24-11-13-34-67-59)69-62(41-51)60-25-12-14-35-68-60/h3-42H,1-2H3
InChIKeySCIZBWBKWLXXBO-UHFFFAOYSA-N
MW895.12 g/mol
LogP16.94
Rot. Bonds8

About 6-(9,9-dimethylfluoren-1-yl)-9-(3,5-diphenylphenyl)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole

6-(9,9-dimethylfluoren-1-yl)-9-(3,5-diphenylphenyl)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole (PubChem CID 145327834) has the molecular formula C66H46N4 and a molecular weight of 895.12 g/mol. Its IUPAC name is 6-(9,9-dimethylfluoren-1-yl)-9-(3,5-diphenylphenyl)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole.

Molecular Properties

Compound Name6-(9,9-dimethylfluoren-1-yl)-9-(3,5-diphenylphenyl)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole
PubChem CID145327834
Molecular FormulaC66H46N4
Molecular Weight895.12 g/mol
Exact Mass894.37
IUPAC Name6-(9,9-dimethylfluoren-1-yl)-9-(3,5-diphenylphenyl)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc4c(c3)c3ccc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)cc5)cc3n4-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c21
InChIInChI=1S/C66H46N4/c1-66(2)58-23-10-9-20-54(58)56-22-15-21-53(65(56)66)48-31-33-63-57(39-48)55-32-30-47(42-64(55)70(63)52-37-49(43-16-5-3-6-17-43)36-50(38-52)44-18-7-4-8-19-44)45-26-28-46(29-27-45)51-40-61(59-24-11-13-34-67-59)69-62(41-51)60-25-12-14-35-68-60/h3-42H,1-2H3
InChIKeySCIZBWBKWLXXBO-UHFFFAOYSA-N
XLogP16.94
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.12
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9,9-dimethylfluoren-1-yl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenylcarbazole
CID 145327492
3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenyl-5-pyridin-2-ylphenyl)carbazole
CID 118014196
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289395
2-[2-(9,9-dimethylfluoren-2-yl)-4-pyridinyl]-9-(3,5-diphenylphenyl)carbazole
CID 129312221
2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 159307111
2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 134252122
2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 122492205
2-[3-[6-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-3-yl]phenyl]phenanthro[9,10-b]pyridine
CID 145327805
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
9-phenyl-2-pyridin-2-yl-6-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 140814524
9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289394
7-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole;7-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole;7-[9-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 159163877

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylfluoren-1-yl)-9-(3,5-diphenylphenyl)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole?
The IUPAC name of 6-(9,9-dimethylfluoren-1-yl)-9-(3,5-diphenylphenyl)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole (CID 145327834) is 6-(9,9-dimethylfluoren-1-yl)-9-(3,5-diphenylphenyl)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole.
What is the SMILES notation for 6-(9,9-dimethylfluoren-1-yl)-9-(3,5-diphenylphenyl)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole?
The canonical SMILES for 6-(9,9-dimethylfluoren-1-yl)-9-(3,5-diphenylphenyl)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole is CC1(C)c2ccccc2-c2cccc(-c3ccc4c(c3)c3ccc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)cc5)cc3n4-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c21.
What is the InChIKey of 6-(9,9-dimethylfluoren-1-yl)-9-(3,5-diphenylphenyl)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole?
The InChIKey is SCIZBWBKWLXXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N4/c1-66(2)58-23-10-9-20-54(58)56-22-15-21-53(65(56)66)48-31-33-63-57(39-48)55-32-30-47(42-64(55)70(63)52-37-49(43-16-5-3-6-17-43)36-50(38-52)44-18-7-4-8-19-44)45-26-28-46(29-27-45)51-40-61(59-24-11-13-34-67-59)69-62(41-51)60-25-12-14-35-68-60/h3-42H,1-2H3.
What are the key properties of 6-(9,9-dimethylfluoren-1-yl)-9-(3,5-diphenylphenyl)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole?
6-(9,9-dimethylfluoren-1-yl)-9-(3,5-diphenylphenyl)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole has a molecular weight of 895.12 g/mol, XLogP of 16.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,9-dimethylfluoren-1-yl)-9-(3,5-diphenylphenyl)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole is sourced from PubChem (CID 145327834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).