3-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-(4-phenylphenyl)carbazole

C57H40N2 — CID 157365486

IUPAC3-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-(4-phenylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C57H40N2/c1-57(2)50-22-12-9-21-46(50)56-47(35-41(36-51(56)57)39-27-31-54-48(33-39)44-19-10-13-23-52(44)58(54)42-17-7-4-8-18-42)40-28-32-55-49(34-40)45-20-11-14-24-53(45)59(55)43-29-25-38(26-30-43)37-15-5-3-6-16-37/h3-36H,1-2H3
InChIKeyZBPRCLJBZWQDRQ-UHFFFAOYSA-N
MW752.96 g/mol
LogP15.19
Rot. Bonds5

About 3-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-(4-phenylphenyl)carbazole

3-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-(4-phenylphenyl)carbazole (PubChem CID 157365486) has the molecular formula C57H40N2 and a molecular weight of 752.96 g/mol. Its IUPAC name is 3-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-(4-phenylphenyl)carbazole
PubChem CID157365486
Molecular FormulaC57H40N2
Molecular Weight752.96 g/mol
Exact Mass752.32
IUPAC Name3-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-(4-phenylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C57H40N2/c1-57(2)50-22-12-9-21-46(50)56-47(35-41(36-51(56)57)39-27-31-54-48(33-39)44-19-10-13-23-52(44)58(54)42-17-7-4-8-18-42)40-28-32-55-49(34-40)45-20-11-14-24-53(45)59(55)43-29-25-38(26-30-43)37-15-5-3-6-16-37/h3-36H,1-2H3
InChIKeyZBPRCLJBZWQDRQ-UHFFFAOYSA-N
XLogP15.19
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.96
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-phenylcarbazole
CID 157250025
3-[3-(9,9-dimethylfluoren-2-yl)-5-triphenylen-2-ylphenyl]-6,9-diphenylcarbazole;9-phenyl-3-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole;9-phenyl-3-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 161477367
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
3-(9,9-dimethylfluoren-2-yl)-9-(3,5-diphenylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole;9-(3,5-diphenylphenyl)-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 158206724
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311960
6-(9,9-dimethylfluoren-4-yl)-2-(4,6-diphenyl-2-pyridinyl)-9-phenylcarbazole
CID 145327729
2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 122492205
3-(9,9-dimethyl-5,6,7-triphenylfluoren-3-yl)-9-phenylcarbazole
CID 138474935
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 118487938
2-(9,9-dimethylfluoren-4-yl)-N-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 121343863

Frequently Asked Questions

What is the IUPAC name of 3-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-(4-phenylphenyl)carbazole (CID 157365486) is 3-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-(4-phenylphenyl)carbazole is CC1(C)c2ccccc2-c2c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of 3-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-(4-phenylphenyl)carbazole?
The InChIKey is ZBPRCLJBZWQDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2/c1-57(2)50-22-12-9-21-46(50)56-47(35-41(36-51(56)57)39-27-31-54-48(33-39)44-19-10-13-23-52(44)58(54)42-17-7-4-8-18-42)40-28-32-55-49(34-40)45-20-11-14-24-53(45)59(55)43-29-25-38(26-30-43)37-15-5-3-6-16-37/h3-36H,1-2H3.
What are the key properties of 3-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-(4-phenylphenyl)carbazole?
3-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-(4-phenylphenyl)carbazole has a molecular weight of 752.96 g/mol, XLogP of 15.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 157365486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).