5-[4-(9,9-dimethylfluoren-1-yl)-6-phenylquinazolin-2-yl]benzo[b]carbazole

C45H31N3 — CID 139362284

IUPAC5-[4-(9,9-dimethylfluoren-1-yl)-6-phenylquinazolin-2-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-n4c5ccccc5c5cc6ccccc6cc54)nc4ccc(-c5ccccc5)cc34)c21
InChIInChI=1S/C45H31N3/c1-45(2)38-21-10-8-17-32(38)34-19-12-20-35(42(34)45)43-37-26-31(28-13-4-3-5-14-28)23-24-39(37)46-44(47-43)48-40-22-11-9-18-33(40)36-25-29-15-6-7-16-30(29)27-41(36)48/h3-27H,1-2H3
InChIKeyKPZPORFTMUSTBZ-UHFFFAOYSA-N
MW613.76 g/mol
LogP11.52
Rot. Bonds3

About 5-[4-(9,9-dimethylfluoren-1-yl)-6-phenylquinazolin-2-yl]benzo[b]carbazole

5-[4-(9,9-dimethylfluoren-1-yl)-6-phenylquinazolin-2-yl]benzo[b]carbazole (PubChem CID 139362284) has the molecular formula C45H31N3 and a molecular weight of 613.76 g/mol. Its IUPAC name is 5-[4-(9,9-dimethylfluoren-1-yl)-6-phenylquinazolin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(9,9-dimethylfluoren-1-yl)-6-phenylquinazolin-2-yl]benzo[b]carbazole
PubChem CID139362284
Molecular FormulaC45H31N3
Molecular Weight613.76 g/mol
Exact Mass613.25
IUPAC Name5-[4-(9,9-dimethylfluoren-1-yl)-6-phenylquinazolin-2-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-n4c5ccccc5c5cc6ccccc6cc54)nc4ccc(-c5ccccc5)cc34)c21
InChIInChI=1S/C45H31N3/c1-45(2)38-21-10-8-17-32(38)34-19-12-20-35(42(34)45)43-37-26-31(28-13-4-3-5-14-28)23-24-39(37)46-44(47-43)48-40-22-11-9-18-33(40)36-25-29-15-6-7-16-30(29)27-41(36)48/h3-27H,1-2H3
InChIKeyKPZPORFTMUSTBZ-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

Analyze 5-[4-(9,9-dimethylfluoren-1-yl)-6-phenylquinazolin-2-yl]benzo[b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(9,9-dimethylfluoren-4-yl)-7-phenylquinazolin-2-yl]benzo[b]carbazole
CID 139361929
5-[4-(3,5-diphenylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole
CID 137433547
5-[4-(9,9-dimethylfluoren-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]benzo[b]carbazole
CID 161250463
5-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)quinazolin-2-yl]benzo[b]carbazole
CID 139361885
3-(4,6-diphenylquinazolin-2-yl)-15,15-dimethyl-23-oxa-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 118602121
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 129312343
5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 146874125
9-benzo[b]carbazol-5-yl-5-(4-dibenzothiophen-4-ylquinazolin-2-yl)benzo[b]carbazole;9-benzo[b]carbazol-5-yl-5-[4-(9,9-dimethylfluoren-1-yl)quinazolin-2-yl]benzo[b]carbazole;9-benzo[b]carbazol-5-yl-5-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[b]carbazole
CID 159019157
5-[5,5-dimethyl-4-(9-phenylcarbazol-2-yl)indeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole
CID 137433938
5-(4-naphthalen-1-ylquinazolin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 142474116
5-(6-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)-3-(9,9-dimethylfluoren-4-yl)benzo[b]carbazole
CID 146540586

Frequently Asked Questions

What is the IUPAC name of 5-[4-(9,9-dimethylfluoren-1-yl)-6-phenylquinazolin-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-(9,9-dimethylfluoren-1-yl)-6-phenylquinazolin-2-yl]benzo[b]carbazole (CID 139362284) is 5-[4-(9,9-dimethylfluoren-1-yl)-6-phenylquinazolin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(9,9-dimethylfluoren-1-yl)-6-phenylquinazolin-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(9,9-dimethylfluoren-1-yl)-6-phenylquinazolin-2-yl]benzo[b]carbazole is CC1(C)c2ccccc2-c2cccc(-c3nc(-n4c5ccccc5c5cc6ccccc6cc54)nc4ccc(-c5ccccc5)cc34)c21.
What is the InChIKey of 5-[4-(9,9-dimethylfluoren-1-yl)-6-phenylquinazolin-2-yl]benzo[b]carbazole?
The InChIKey is KPZPORFTMUSTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3/c1-45(2)38-21-10-8-17-32(38)34-19-12-20-35(42(34)45)43-37-26-31(28-13-4-3-5-14-28)23-24-39(37)46-44(47-43)48-40-22-11-9-18-33(40)36-25-29-15-6-7-16-30(29)27-41(36)48/h3-27H,1-2H3.
What are the key properties of 5-[4-(9,9-dimethylfluoren-1-yl)-6-phenylquinazolin-2-yl]benzo[b]carbazole?
5-[4-(9,9-dimethylfluoren-1-yl)-6-phenylquinazolin-2-yl]benzo[b]carbazole 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 5-[4-(9,9-dimethylfluoren-1-yl)-6-phenylquinazolin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 139362284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).