2-anthracen-9-yl-4-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-3-yl)quinazoline;2-(11-methyl-11-phenylfluoreno[3,2-b][1]benzofuran-2-yl)-4,6-diphenylquinazoline

C99H62N4O2 — CID 160852756

IUPAC2-anthracen-9-yl-4-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-3-yl)quinazoline;2-(11-methyl-11-phenylfluoreno[3,2-b][1]benzofuran-2-yl)-4,6-diphenylquinazoline
SMILESCC1(c2ccccc2)c2ccccc2-c2cc3oc4ccc(-c5nc(-c6ccccc6)c6cc(-c7ccccc7)ccc6n5)cc4c3cc21.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4oc5cc(-c6nc(-c7c8ccccc8cc8ccccc78)nc7ccccc67)ccc5c4cc32)cc1
InChIInChI=1S/C53H32N2O.C46H30N2O/c1-3-17-36(18-4-1)53(37-19-5-2-6-20-37)45-25-13-11-23-40(45)43-32-49-44(31-46(43)53)41-28-27-35(30-48(41)56-49)51-42-24-12-14-26-47(42)54-52(55-51)50-38-21-9-7-15-33(38)29-34-16-8-10-22-39(34)50;1-46(33-17-9-4-10-18-33)39-20-12-11-19-34(39)35-28-43-37(27-40(35)46)36-26-32(22-24-42(36)49-43)45-47-41-23-21-31(29-13-5-2-6-14-29)25-38(41)44(48-45)30-15-7-3-8-16-30/h1-32H;2-28H,1H3
InChIKeySJLXSTMLWFSOQW-UHFFFAOYSA-N
MW1339.61 g/mol
LogP25.40
Rot. Bonds8

About 2-anthracen-9-yl-4-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-3-yl)quinazoline;2-(11-methyl-11-phenylfluoreno[3,2-b][1]benzofuran-2-yl)-4,6-diphenylquinazoline

2-anthracen-9-yl-4-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-3-yl)quinazoline;2-(11-methyl-11-phenylfluoreno[3,2-b][1]benzofuran-2-yl)-4,6-diphenylquinazoline (PubChem CID 160852756) has the molecular formula C99H62N4O2 and a molecular weight of 1339.61 g/mol. Its IUPAC name is 2-anthracen-9-yl-4-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-3-yl)quinazoline;2-(11-methyl-11-phenylfluoreno[3,2-b][1]benzofuran-2-yl)-4,6-diphenylquinazoline.

Molecular Properties

Compound Name2-anthracen-9-yl-4-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-3-yl)quinazoline;2-(11-methyl-11-phenylfluoreno[3,2-b][1]benzofuran-2-yl)-4,6-diphenylquinazoline
PubChem CID160852756
Molecular FormulaC99H62N4O2
Molecular Weight1339.61 g/mol
Exact Mass1338.49
IUPAC Name2-anthracen-9-yl-4-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-3-yl)quinazoline;2-(11-methyl-11-phenylfluoreno[3,2-b][1]benzofuran-2-yl)-4,6-diphenylquinazoline
SMILESCC1(c2ccccc2)c2ccccc2-c2cc3oc4ccc(-c5nc(-c6ccccc6)c6cc(-c7ccccc7)ccc6n5)cc4c3cc21.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4oc5cc(-c6nc(-c7c8ccccc8cc8ccccc78)nc7ccccc67)ccc5c4cc32)cc1
InChIInChI=1S/C53H32N2O.C46H30N2O/c1-3-17-36(18-4-1)53(37-19-5-2-6-20-37)45-25-13-11-23-40(45)43-32-49-44(31-46(43)53)41-28-27-35(30-48(41)56-49)51-42-24-12-14-26-47(42)54-52(55-51)50-38-21-9-7-15-33(38)29-34-16-8-10-22-39(34)50;1-46(33-17-9-4-10-18-33)39-20-12-11-19-34(39)35-28-43-37(27-40(35)46)36-26-32(22-24-42(36)49-43)45-47-41-23-21-31(29-13-5-2-6-14-29)25-38(41)44(48-45)30-15-7-3-8-16-30/h1-32H;2-28H,1H3
InChIKeySJLXSTMLWFSOQW-UHFFFAOYSA-N
XLogP25.40
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001339.61
LogP ≤ 525.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-anthracen-9-yl-4-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-3-yl)quinazoline;2-(11-methyl-11-phenylfluoreno[3,2-b][1]benzofuran-2-yl)-4,6-diphenylquinazoline with MolForge

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Related Compounds

2-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenylquinazoline
CID 135176963
4-dibenzofuran-1-yl-2-(12-methyl-12-phenylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline;2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline
CID 157121907
2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline
CID 130233123
2-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 147385970
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
2-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)quinazoline
CID 130375099
4-(4-dibenzofuran-3-ylphenyl)-6-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171603427
4-(2-dibenzofuran-2-ylphenyl)-6-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171602681
2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146367670
2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline
CID 146581603
4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9-methyl-9-phenylfluoren-2-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171601950
6-(11,11-diphenylbenzo[b]fluoren-6-yl)-2,4-diphenylquinazoline
CID 154589173

Frequently Asked Questions

What is the IUPAC name of 2-anthracen-9-yl-4-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-3-yl)quinazoline;2-(11-methyl-11-phenylfluoreno[3,2-b][1]benzofuran-2-yl)-4,6-diphenylquinazoline?
The IUPAC name of 2-anthracen-9-yl-4-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-3-yl)quinazoline;2-(11-methyl-11-phenylfluoreno[3,2-b][1]benzofuran-2-yl)-4,6-diphenylquinazoline (CID 160852756) is 2-anthracen-9-yl-4-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-3-yl)quinazoline;2-(11-methyl-11-phenylfluoreno[3,2-b][1]benzofuran-2-yl)-4,6-diphenylquinazoline.
What is the SMILES notation for 2-anthracen-9-yl-4-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-3-yl)quinazoline;2-(11-methyl-11-phenylfluoreno[3,2-b][1]benzofuran-2-yl)-4,6-diphenylquinazoline?
The canonical SMILES for 2-anthracen-9-yl-4-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-3-yl)quinazoline;2-(11-methyl-11-phenylfluoreno[3,2-b][1]benzofuran-2-yl)-4,6-diphenylquinazoline is CC1(c2ccccc2)c2ccccc2-c2cc3oc4ccc(-c5nc(-c6ccccc6)c6cc(-c7ccccc7)ccc6n5)cc4c3cc21.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4oc5cc(-c6nc(-c7c8ccccc8cc8ccccc78)nc7ccccc67)ccc5c4cc32)cc1.
What is the InChIKey of 2-anthracen-9-yl-4-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-3-yl)quinazoline;2-(11-methyl-11-phenylfluoreno[3,2-b][1]benzofuran-2-yl)-4,6-diphenylquinazoline?
The InChIKey is SJLXSTMLWFSOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2O.C46H30N2O/c1-3-17-36(18-4-1)53(37-19-5-2-6-20-37)45-25-13-11-23-40(45)43-32-49-44(31-46(43)53)41-28-27-35(30-48(41)56-49)51-42-24-12-14-26-47(42)54-52(55-51)50-38-21-9-7-15-33(38)29-34-16-8-10-22-39(34)50;1-46(33-17-9-4-10-18-33)39-20-12-11-19-34(39)35-28-43-37(27-40(35)46)36-26-32(22-24-42(36)49-43)45-47-41-23-21-31(29-13-5-2-6-14-29)25-38(41)44(48-45)30-15-7-3-8-16-30/h1-32H;2-28H,1H3.
What are the key properties of 2-anthracen-9-yl-4-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-3-yl)quinazoline;2-(11-methyl-11-phenylfluoreno[3,2-b][1]benzofuran-2-yl)-4,6-diphenylquinazoline?
2-anthracen-9-yl-4-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-3-yl)quinazoline;2-(11-methyl-11-phenylfluoreno[3,2-b][1]benzofuran-2-yl)-4,6-diphenylquinazoline has a molecular weight of 1339.61 g/mol, XLogP of 25.40, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-9-yl-4-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-3-yl)quinazoline;2-(11-methyl-11-phenylfluoreno[3,2-b][1]benzofuran-2-yl)-4,6-diphenylquinazoline is sourced from PubChem (CID 160852756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).