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

C57H39N3 — CID 145327625

IUPAC6-(9,9-dimethylfluoren-4-yl)-9-naphthalen-1-yl-2-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4c(c3)c3ccc(-c5cccc(-c6nc(-c7ccccc7)c7ccccc7n6)c5)cc3n4-c3cccc4ccccc34)cccc21
InChIInChI=1S/C57H39N3/c1-57(2)48-25-10-8-22-45(48)54-43(24-14-26-49(54)57)40-30-32-52-47(34-40)44-31-29-39(35-53(44)60(52)51-28-13-18-36-15-6-7-21-42(36)51)38-19-12-20-41(33-38)56-58-50-27-11-9-23-46(50)55(59-56)37-16-4-3-5-17-37/h3-35H,1-2H3
InChIKeyHNWROGVPKPJCIU-UHFFFAOYSA-N
MW765.96 g/mol
LogP14.85
Rot. Bonds5

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

6-(9,9-dimethylfluoren-4-yl)-9-naphthalen-1-yl-2-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole (PubChem CID 145327625) has the molecular formula C57H39N3 and a molecular weight of 765.96 g/mol. Its IUPAC name is 6-(9,9-dimethylfluoren-4-yl)-9-naphthalen-1-yl-2-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name6-(9,9-dimethylfluoren-4-yl)-9-naphthalen-1-yl-2-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
PubChem CID145327625
Molecular FormulaC57H39N3
Molecular Weight765.96 g/mol
Exact Mass765.31
IUPAC Name6-(9,9-dimethylfluoren-4-yl)-9-naphthalen-1-yl-2-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4c(c3)c3ccc(-c5cccc(-c6nc(-c7ccccc7)c7ccccc7n6)c5)cc3n4-c3cccc4ccccc34)cccc21
InChIInChI=1S/C57H39N3/c1-57(2)48-25-10-8-22-45(48)54-43(24-14-26-49(54)57)40-30-32-52-47(34-40)44-31-29-39(35-53(44)60(52)51-28-13-18-36-15-6-7-21-42(36)51)38-19-12-20-41(33-38)56-58-50-27-11-9-23-46(50)55(59-56)37-16-4-3-5-17-37/h3-35H,1-2H3
InChIKeyHNWROGVPKPJCIU-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-3-yl)-9-naphthalen-1-yl-1-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 145327601
3-(9,9-dimethylfluoren-4-yl)-9-phenyl-6-(4-phenylquinazolin-2-yl)carbazole
CID 145327894
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
1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 148655486
9-[4-carbazol-9-yl-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742594
14,14-dimethyl-9-naphthalen-1-yl-6-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 154948027
2-(9,9-dimethylfluoren-4-yl)-4-(4-naphthalen-1-ylphenyl)quinazoline
CID 126536581
5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole
CID 170542497
2-(9,9-dimethylfluoren-4-yl)-4-[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]quinazoline
CID 135298558
9-[5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-3-phenylcarbazole
CID 177287146
7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole
CID 145080031

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylfluoren-4-yl)-9-naphthalen-1-yl-2-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The IUPAC name of 6-(9,9-dimethylfluoren-4-yl)-9-naphthalen-1-yl-2-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole (CID 145327625) is 6-(9,9-dimethylfluoren-4-yl)-9-naphthalen-1-yl-2-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole.
What is the SMILES notation for 6-(9,9-dimethylfluoren-4-yl)-9-naphthalen-1-yl-2-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The canonical SMILES for 6-(9,9-dimethylfluoren-4-yl)-9-naphthalen-1-yl-2-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole is CC1(C)c2ccccc2-c2c(-c3ccc4c(c3)c3ccc(-c5cccc(-c6nc(-c7ccccc7)c7ccccc7n6)c5)cc3n4-c3cccc4ccccc34)cccc21.
What is the InChIKey of 6-(9,9-dimethylfluoren-4-yl)-9-naphthalen-1-yl-2-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The InChIKey is HNWROGVPKPJCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N3/c1-57(2)48-25-10-8-22-45(48)54-43(24-14-26-49(54)57)40-30-32-52-47(34-40)44-31-29-39(35-53(44)60(52)51-28-13-18-36-15-6-7-21-42(36)51)38-19-12-20-41(33-38)56-58-50-27-11-9-23-46(50)55(59-56)37-16-4-3-5-17-37/h3-35H,1-2H3.
What are the key properties of 6-(9,9-dimethylfluoren-4-yl)-9-naphthalen-1-yl-2-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole?
6-(9,9-dimethylfluoren-4-yl)-9-naphthalen-1-yl-2-[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-4-yl)-9-naphthalen-1-yl-2-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole is sourced from PubChem (CID 145327625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).