5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole

C39H27N3 — CID 139361806

IUPAC5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5cc6ccccc6cc54)c4ccccc4n3)cc21
InChIInChI=1S/C39H27N3/c1-39(2)32-16-8-5-13-27(32)28-20-19-26(22-33(28)39)37-40-34-17-9-6-15-30(34)38(41-37)42-35-18-10-7-14-29(35)31-21-24-11-3-4-12-25(24)23-36(31)42/h3-23H,1-2H3
InChIKeyQJVSZTVRZGJROJ-UHFFFAOYSA-N
MW537.67 g/mol
LogP9.85
Rot. Bonds2

About 5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole

5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole (PubChem CID 139361806) has the molecular formula C39H27N3 and a molecular weight of 537.67 g/mol. Its IUPAC name is 5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole
PubChem CID139361806
Molecular FormulaC39H27N3
Molecular Weight537.67 g/mol
Exact Mass537.22
IUPAC Name5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5cc6ccccc6cc54)c4ccccc4n3)cc21
InChIInChI=1S/C39H27N3/c1-39(2)32-16-8-5-13-27(32)28-20-19-26(22-33(28)39)37-40-34-17-9-6-15-30(34)38(41-37)42-35-18-10-7-14-29(35)31-21-24-11-3-4-12-25(24)23-36(31)42/h3-23H,1-2H3
InChIKeyQJVSZTVRZGJROJ-UHFFFAOYSA-N
XLogP9.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.67
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(9,9-dimethylfluoren-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 139361545
8-benzo[a]carbazol-11-yl-5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole;8-benzo[a]carbazol-11-yl-5-(2-phenanthren-3-ylquinazolin-4-yl)benzo[b]carbazole;8-benzo[a]carbazol-11-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole
CID 159439696
5-(2-dibenzofuran-2-ylquinazolin-4-yl)benzo[b]carbazole;5-(2-dibenzothiophen-2-ylquinazolin-4-yl)benzo[b]carbazole;5-[2-(9,9-dimethylfluoren-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 161048106
9-[4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742742
9-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-3-naphthalen-2-ylcarbazole
CID 126537282
5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 134603721
12-(9,9-dimethylfluoren-2-yl)-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 139322555
5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 146874125
8-benzo[a]carbazol-11-yl-5-[3-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole
CID 146375702
2-benzo[b]carbazol-5-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole
CID 146375305
5-[5,5-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole
CID 146181776
9-[2,4-bis[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]quinazolin-6-yl]-2-(9,9-dimethylfluoren-2-yl)carbazole
CID 126632255

Frequently Asked Questions

What is the IUPAC name of 5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole?
The IUPAC name of 5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole (CID 139361806) is 5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole?
The canonical SMILES for 5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole is CC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5cc6ccccc6cc54)c4ccccc4n3)cc21.
What is the InChIKey of 5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole?
The InChIKey is QJVSZTVRZGJROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3/c1-39(2)32-16-8-5-13-27(32)28-20-19-26(22-33(28)39)37-40-34-17-9-6-15-30(34)38(41-37)42-35-18-10-7-14-29(35)31-21-24-11-3-4-12-25(24)23-36(31)42/h3-23H,1-2H3.
What are the key properties of 5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole?
5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole has a molecular weight of 537.67 g/mol, XLogP of 9.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole is sourced from PubChem (CID 139361806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).