9-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-3-naphthalen-2-ylcarbazole

C45H31N3 — CID 126537282

IUPAC9-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-3-naphthalen-2-ylcarbazole
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-n4c5ccccc5c5cc(-c6ccc7ccccc7c6)ccc54)c4ccccc4n3)cccc21
InChIInChI=1S/C45H31N3/c1-45(2)37-18-8-5-15-33(37)42-35(17-11-19-38(42)45)43-46-39-20-9-6-16-34(39)44(47-43)48-40-21-10-7-14-32(40)36-27-31(24-25-41(36)48)30-23-22-28-12-3-4-13-29(28)26-30/h3-27H,1-2H3
InChIKeyIGBPVUWGFAWRSS-UHFFFAOYSA-N
MW613.76 g/mol
LogP11.52
Rot. Bonds3

About 9-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-3-naphthalen-2-ylcarbazole

9-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-3-naphthalen-2-ylcarbazole (PubChem CID 126537282) has the molecular formula C45H31N3 and a molecular weight of 613.76 g/mol. Its IUPAC name is 9-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-3-naphthalen-2-ylcarbazole.

Molecular Properties

Compound Name9-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-3-naphthalen-2-ylcarbazole
PubChem CID126537282
Molecular FormulaC45H31N3
Molecular Weight613.76 g/mol
Exact Mass613.25
IUPAC Name9-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-3-naphthalen-2-ylcarbazole
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-n4c5ccccc5c5cc(-c6ccc7ccccc7c6)ccc54)c4ccccc4n3)cccc21
InChIInChI=1S/C45H31N3/c1-45(2)37-18-8-5-15-33(37)42-35(17-11-19-38(42)45)43-46-39-20-9-6-16-34(39)44(47-43)48-40-21-10-7-14-32(40)36-27-31(24-25-41(36)48)30-23-22-28-12-3-4-13-29(28)26-30/h3-27H,1-2H3
InChIKeyIGBPVUWGFAWRSS-UHFFFAOYSA-N
XLogP11.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[2-[4-(9,9-dimethylfluoren-4-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 176851473
5-[2-(9,9-dimethylfluoren-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 139361545
5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole
CID 139361806
9-[5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-3-phenylcarbazole
CID 177287146
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
3-(9,9-dimethylfluoren-4-yl)-9-phenyl-6-(4-phenylquinazolin-2-yl)carbazole
CID 145327894
5-[3-(9,9-dimethylfluoren-4-yl)-6,7-diphenylquinoxalin-2-yl]benzo[b]carbazole
CID 139361909
6-(9,9-dimethylfluoren-4-yl)-9-naphthalen-1-yl-2-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 145327625
N-(9,9-dimethylfluoren-4-yl)-4-(8-phenylbenzo[a]carbazol-11-yl)-N-(4-phenylphenyl)quinazolin-2-amine
CID 146369088
2-naphthalen-2-yl-5-[2-(7-phenylbenzo[c]carbazol-5-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146539916
6-(9,9-dimethylfluoren-2-yl)-1-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 145327732
1-(9,9-dimethylfluoren-4-yl)-5-(3-naphthalen-2-yl-6-phenylquinoxalin-2-yl)benzo[b]carbazole;5-[3-(9,9-dimethylfluoren-4-yl)-6-phenylquinoxalin-2-yl]-3-naphthalen-2-ylbenzo[b]carbazole;2-naphthalen-2-yl-5-[6-phenyl-3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 161055075

Frequently Asked Questions

What is the IUPAC name of 9-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-3-naphthalen-2-ylcarbazole?
The IUPAC name of 9-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-3-naphthalen-2-ylcarbazole (CID 126537282) is 9-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-3-naphthalen-2-ylcarbazole.
What is the SMILES notation for 9-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-3-naphthalen-2-ylcarbazole?
The canonical SMILES for 9-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-3-naphthalen-2-ylcarbazole is CC1(C)c2ccccc2-c2c(-c3nc(-n4c5ccccc5c5cc(-c6ccc7ccccc7c6)ccc54)c4ccccc4n3)cccc21.
What is the InChIKey of 9-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-3-naphthalen-2-ylcarbazole?
The InChIKey is IGBPVUWGFAWRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3/c1-45(2)37-18-8-5-15-33(37)42-35(17-11-19-38(42)45)43-46-39-20-9-6-16-34(39)44(47-43)48-40-21-10-7-14-32(40)36-27-31(24-25-41(36)48)30-23-22-28-12-3-4-13-29(28)26-30/h3-27H,1-2H3.
What are the key properties of 9-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-3-naphthalen-2-ylcarbazole?
9-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-3-naphthalen-2-ylcarbazole has a molecular weight of 613.76 g/mol, XLogP of 11.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-3-naphthalen-2-ylcarbazole is sourced from PubChem (CID 126537282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).