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

C57H39N3 — CID 145327601

IUPAC6-(9,9-dimethylfluoren-3-yl)-9-naphthalen-1-yl-1-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3cccc(-c5cccc(-c6nc(-c7ccccc7)c7ccccc7n6)c5)c3n4-c3cccc4ccccc34)ccc21
InChIInChI=1S/C57H39N3/c1-57(2)49-26-10-8-22-44(49)47-34-38(29-31-50(47)57)39-30-32-53-48(35-39)45-25-14-24-43(55(45)60(53)52-28-13-18-36-15-6-7-21-42(36)52)40-19-12-20-41(33-40)56-58-51-27-11-9-23-46(51)54(59-56)37-16-4-3-5-17-37/h3-35H,1-2H3
InChIKeyPYYPSWRNZRXKPW-UHFFFAOYSA-N
MW765.96 g/mol
LogP14.85
Rot. Bonds5

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

6-(9,9-dimethylfluoren-3-yl)-9-naphthalen-1-yl-1-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole (PubChem CID 145327601) has the molecular formula C57H39N3 and a molecular weight of 765.96 g/mol. Its IUPAC name is 6-(9,9-dimethylfluoren-3-yl)-9-naphthalen-1-yl-1-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name6-(9,9-dimethylfluoren-3-yl)-9-naphthalen-1-yl-1-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
PubChem CID145327601
Molecular FormulaC57H39N3
Molecular Weight765.96 g/mol
Exact Mass765.31
IUPAC Name6-(9,9-dimethylfluoren-3-yl)-9-naphthalen-1-yl-1-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3cccc(-c5cccc(-c6nc(-c7ccccc7)c7ccccc7n6)c5)c3n4-c3cccc4ccccc34)ccc21
InChIInChI=1S/C57H39N3/c1-57(2)49-26-10-8-22-44(49)47-34-38(29-31-50(47)57)39-30-32-53-48(35-39)45-25-14-24-43(55(45)60(53)52-28-13-18-36-15-6-7-21-42(36)52)40-19-12-20-41(33-40)56-58-51-27-11-9-23-46(51)54(59-56)37-16-4-3-5-17-37/h3-35H,1-2H3
InChIKeyPYYPSWRNZRXKPW-UHFFFAOYSA-N
XLogP14.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.96
LogP ≤ 514.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(9,9-dimethylfluoren-4-yl)-9-naphthalen-1-yl-2-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 145327625
6-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole
CID 145327658
3-(9,9-dimethylfluoren-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole
CID 145327636
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
3-(9,9-dimethylfluoren-4-yl)-9-phenyl-6-(4-phenylquinazolin-2-yl)carbazole
CID 145327894
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline
CID 167612820
1-(9,9-dimethylfluoren-3-yl)-3-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]benzo[f]quinazoline
CID 121401852
6-(9,9-dimethylfluoren-3-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 145327523
1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 148655486
19-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 142568396
5-(4,6-diphenylquinazolin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene
CID 163982399
8-(9,9-dimethylfluoren-3-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane
CID 142570369

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylfluoren-3-yl)-9-naphthalen-1-yl-1-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The IUPAC name of 6-(9,9-dimethylfluoren-3-yl)-9-naphthalen-1-yl-1-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole (CID 145327601) is 6-(9,9-dimethylfluoren-3-yl)-9-naphthalen-1-yl-1-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole.
What is the SMILES notation for 6-(9,9-dimethylfluoren-3-yl)-9-naphthalen-1-yl-1-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The canonical SMILES for 6-(9,9-dimethylfluoren-3-yl)-9-naphthalen-1-yl-1-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole is CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3cccc(-c5cccc(-c6nc(-c7ccccc7)c7ccccc7n6)c5)c3n4-c3cccc4ccccc34)ccc21.
What is the InChIKey of 6-(9,9-dimethylfluoren-3-yl)-9-naphthalen-1-yl-1-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The InChIKey is PYYPSWRNZRXKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N3/c1-57(2)49-26-10-8-22-44(49)47-34-38(29-31-50(47)57)39-30-32-53-48(35-39)45-25-14-24-43(55(45)60(53)52-28-13-18-36-15-6-7-21-42(36)52)40-19-12-20-41(33-40)56-58-51-27-11-9-23-46(51)54(59-56)37-16-4-3-5-17-37/h3-35H,1-2H3.
What are the key properties of 6-(9,9-dimethylfluoren-3-yl)-9-naphthalen-1-yl-1-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole?
6-(9,9-dimethylfluoren-3-yl)-9-naphthalen-1-yl-1-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole has a molecular weight of 765.96 g/mol, XLogP of 14.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,9-dimethylfluoren-3-yl)-9-naphthalen-1-yl-1-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole is sourced from PubChem (CID 145327601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).