6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole

C65H44N4 — CID 163594823

IUPAC6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc(-c5cccc6c7cc(-n8c9ccccc9c9ccccc98)ccc7n(-c7nc(-c8ccccc8)c8ccccc8n7)c56)c4)c3)cc21
InChIInChI=1S/C65H44N4/c1-65(2)56-29-10-6-23-49(56)50-35-33-45(39-57(50)65)43-20-14-19-42(37-43)44-21-15-22-46(38-44)48-27-16-28-53-55-40-47(68-59-31-12-8-24-51(59)52-25-9-13-32-60(52)68)34-36-61(55)69(63(48)53)64-66-58-30-11-7-26-54(58)62(67-64)41-17-4-3-5-18-41/h3-40H,1-2H3
InChIKeyGSNUFKSXCFLCJO-UHFFFAOYSA-N
MW881.10 g/mol
LogP16.80
Rot. Bonds6

About 6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole

6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole (PubChem CID 163594823) has the molecular formula C65H44N4 and a molecular weight of 881.10 g/mol. Its IUPAC name is 6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole.

Molecular Properties

Compound Name6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
PubChem CID163594823
Molecular FormulaC65H44N4
Molecular Weight881.10 g/mol
Exact Mass880.36
IUPAC Name6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc(-c5cccc6c7cc(-n8c9ccccc9c9ccccc98)ccc7n(-c7nc(-c8ccccc8)c8ccccc8n7)c56)c4)c3)cc21
InChIInChI=1S/C65H44N4/c1-65(2)56-29-10-6-23-49(56)50-35-33-45(39-57(50)65)43-20-14-19-42(37-43)44-21-15-22-46(38-44)48-27-16-28-53-55-40-47(68-59-31-12-8-24-51(59)52-25-9-13-32-60(52)68)34-36-61(55)69(63(48)53)64-66-58-30-11-7-26-54(58)62(67-64)41-17-4-3-5-18-41/h3-40H,1-2H3
InChIKeyGSNUFKSXCFLCJO-UHFFFAOYSA-N
XLogP16.80
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.10
LogP ≤ 516.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-bis(9-phenylcarbazol-3-yl)-9-[4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]carbazole
CID 158717562
11-(9,9-dimethylfluoren-2-yl)-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[a]carbazole
CID 118637348
7,7-dimethyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
CID 118517262
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 129312343
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 129312019
1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 148655486
5-[11-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole;5-[11-(4-naphthalen-1-ylquinazolin-2-yl)benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole;5-(11-phenylbenzo[a]carbazol-5-yl)-11-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[a]carbazole
CID 159898026
10-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]quinazolin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole
CID 90062762
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
CID 129312013
6-carbazol-9-yl-1-(3-dibenzofuran-3-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568797
16,16-dimethyl-10-(4-phenylquinazolin-2-yl)-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene
CID 122464915
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole?
The IUPAC name of 6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole (CID 163594823) is 6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole.
What is the SMILES notation for 6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole?
The canonical SMILES for 6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc(-c5cccc6c7cc(-n8c9ccccc9c9ccccc98)ccc7n(-c7nc(-c8ccccc8)c8ccccc8n7)c56)c4)c3)cc21.
What is the InChIKey of 6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole?
The InChIKey is GSNUFKSXCFLCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N4/c1-65(2)56-29-10-6-23-49(56)50-35-33-45(39-57(50)65)43-20-14-19-42(37-43)44-21-15-22-46(38-44)48-27-16-28-53-55-40-47(68-59-31-12-8-24-51(59)52-25-9-13-32-60(52)68)34-36-61(55)69(63(48)53)64-66-58-30-11-7-26-54(58)62(67-64)41-17-4-3-5-18-41/h3-40H,1-2H3.
What are the key properties of 6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole?
6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole has a molecular weight of 881.10 g/mol, XLogP of 16.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole is sourced from PubChem (CID 163594823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).