6-(11,11-diphenylbenzo[b]fluoren-6-yl)-2,4-diphenylquinazoline

C49H32N2 — CID 154589173

IUPAC6-(11,11-diphenylbenzo[b]fluoren-6-yl)-2,4-diphenylquinazoline
SMILESc1ccc(-c2nc(-c3ccccc3)c3cc(-c4cccc5cc6c(cc45)-c4ccccc4C6(c4ccccc4)c4ccccc4)ccc3n2)cc1
InChIInChI=1S/C49H32N2/c1-5-16-33(17-6-1)47-43-30-36(28-29-46(43)50-48(51-47)34-18-7-2-8-19-34)39-26-15-20-35-31-45-42(32-41(35)39)40-25-13-14-27-44(40)49(45,37-21-9-3-10-22-37)38-23-11-4-12-24-38/h1-32H
InChIKeyIELCFTIMSMLTMX-UHFFFAOYSA-N
MW648.81 g/mol
LogP12.15
Rot. Bonds5

About 6-(11,11-diphenylbenzo[b]fluoren-6-yl)-2,4-diphenylquinazoline

6-(11,11-diphenylbenzo[b]fluoren-6-yl)-2,4-diphenylquinazoline (PubChem CID 154589173) has the molecular formula C49H32N2 and a molecular weight of 648.81 g/mol. Its IUPAC name is 6-(11,11-diphenylbenzo[b]fluoren-6-yl)-2,4-diphenylquinazoline.

Molecular Properties

Compound Name6-(11,11-diphenylbenzo[b]fluoren-6-yl)-2,4-diphenylquinazoline
PubChem CID154589173
Molecular FormulaC49H32N2
Molecular Weight648.81 g/mol
Exact Mass648.26
IUPAC Name6-(11,11-diphenylbenzo[b]fluoren-6-yl)-2,4-diphenylquinazoline
SMILESc1ccc(-c2nc(-c3ccccc3)c3cc(-c4cccc5cc6c(cc45)-c4ccccc4C6(c4ccccc4)c4ccccc4)ccc3n2)cc1
InChIInChI=1S/C49H32N2/c1-5-16-33(17-6-1)47-43-30-36(28-29-46(43)50-48(51-47)34-18-7-2-8-19-34)39-26-15-20-35-31-45-42(32-41(35)39)40-25-13-14-27-44(40)49(45,37-21-9-3-10-22-37)38-23-11-4-12-24-38/h1-32H
InChIKeyIELCFTIMSMLTMX-UHFFFAOYSA-N
XLogP12.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(11,11-diphenylbenzo[b]fluoren-6-yl)-2,4-diphenylquinazoline 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

2-(11,11-diphenylbenzo[b]fluoren-6-yl)-3-phenylquinoxaline
CID 155465410
10,10-diphenyl-21-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-(4-phenylquinazolin-2-yl)phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 159098065
3-(11,11-diphenylbenzo[b]fluoren-7-yl)-1-phenylbenzo[f]quinazoline
CID 155465505
2-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenylquinazoline
CID 135176963
21-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129124319
4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline
CID 130375125
2-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)quinazoline
CID 130375099
2-(11,11-diphenylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 155465435
2-(4-phenylphenyl)-4-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]quinazoline
CID 130375121
10,10-diphenyl-14-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-14-[4-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,10-diphenyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 159106365
2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline
CID 130233123
4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-2-phenylquinazoline
CID 138573827

Frequently Asked Questions

What is the IUPAC name of 6-(11,11-diphenylbenzo[b]fluoren-6-yl)-2,4-diphenylquinazoline?
The IUPAC name of 6-(11,11-diphenylbenzo[b]fluoren-6-yl)-2,4-diphenylquinazoline (CID 154589173) is 6-(11,11-diphenylbenzo[b]fluoren-6-yl)-2,4-diphenylquinazoline.
What is the SMILES notation for 6-(11,11-diphenylbenzo[b]fluoren-6-yl)-2,4-diphenylquinazoline?
The canonical SMILES for 6-(11,11-diphenylbenzo[b]fluoren-6-yl)-2,4-diphenylquinazoline is c1ccc(-c2nc(-c3ccccc3)c3cc(-c4cccc5cc6c(cc45)-c4ccccc4C6(c4ccccc4)c4ccccc4)ccc3n2)cc1.
What is the InChIKey of 6-(11,11-diphenylbenzo[b]fluoren-6-yl)-2,4-diphenylquinazoline?
The InChIKey is IELCFTIMSMLTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2/c1-5-16-33(17-6-1)47-43-30-36(28-29-46(43)50-48(51-47)34-18-7-2-8-19-34)39-26-15-20-35-31-45-42(32-41(35)39)40-25-13-14-27-44(40)49(45,37-21-9-3-10-22-37)38-23-11-4-12-24-38/h1-32H.
What are the key properties of 6-(11,11-diphenylbenzo[b]fluoren-6-yl)-2,4-diphenylquinazoline?
6-(11,11-diphenylbenzo[b]fluoren-6-yl)-2,4-diphenylquinazoline has a molecular weight of 648.81 g/mol, XLogP of 12.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(11,11-diphenylbenzo[b]fluoren-6-yl)-2,4-diphenylquinazoline is sourced from PubChem (CID 154589173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).