4-(9,9-dimethylfluoren-2-yl)-2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline;4-naphthalen-1-yl-2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)quinazoline;2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)-4-phenylbenzo[h]quinazoline;2-(3-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-4-phenylquinazoline;3-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-1-phenylbenzo[f]quinazoline;2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-4-phenylquinazoline

C237H146N12O3S3 — CID 159088161

IUPAC4-(9,9-dimethylfluoren-2-yl)-2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline;4-naphthalen-1-yl-2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)quinazoline;2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)-4-phenylbenzo[h]quinazoline;2-(3-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-4-phenylquinazoline;3-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-1-phenylbenzo[f]quinazoline;2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-4-phenylquinazoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc(-c5ccc6ccc7c8ccccc8oc7c6c5)c4)nc4ccccc34)cc21.c1cc(-c2ccc3cc4c(cc3c2)sc2ccccc24)cc(-c2nc(-c3cccc4ccccc34)c3ccccc3n2)c1.c1ccc(-c2nc(-c3cccc(-c4ccc5cc6c(cc5c4)oc4ccccc46)c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5cc6c(cc5c4)sc4ccccc46)c3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5cc6c(cc5c4)sc4ccccc46)c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5ccc6c7ccccc7oc6c5c4)c3)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C45H30N2O.C40H24N2O.2C40H24N2S.C36H22N2O.C36H22N2S/c1-45(2)38-15-6-3-12-32(38)33-22-21-30(26-39(33)45)42-36-14-4-7-16-40(36)46-44(47-42)31-11-9-10-28(24-31)29-19-18-27-20-23-35-34-13-5-8-17-41(34)48-43(35)37(27)25-29;1-2-10-27(11-3-1)37-34-22-20-25-9-4-5-14-31(25)38(34)42-40(41-37)30-13-8-12-28(23-30)29-18-17-26-19-21-33-32-15-6-7-16-36(32)43-39(33)35(26)24-29;1-2-13-31-25(9-1)10-8-16-33(31)39-34-15-3-5-17-36(34)41-40(42-39)29-12-7-11-26(21-29)27-19-20-28-23-35-32-14-4-6-18-37(32)43-38(35)24-30(28)22-27;1-2-10-26(11-3-1)39-38-32-14-5-4-9-25(32)19-20-35(38)41-40(42-39)30-13-8-12-27(21-30)28-17-18-29-23-34-33-15-6-7-16-36(33)43-37(34)24-31(29)22-28;2*1-2-9-23(10-3-1)35-30-14-4-6-15-32(30)37-36(38-35)27-12-8-11-24(19-27)25-17-18-26-21-31-29-13-5-7-16-33(29)39-34(31)22-28(26)20-25/h3-26H,1-2H3;3*1-24H;2*1-22H
InChIKeyKBSGTTJZCWUAQX-UHFFFAOYSA-N
MW3306.06 g/mol
LogP65.27
Rot. Bonds18

About 4-(9,9-dimethylfluoren-2-yl)-2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline;4-naphthalen-1-yl-2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)quinazoline;2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)-4-phenylbenzo[h]quinazoline;2-(3-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-4-phenylquinazoline;3-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-1-phenylbenzo[f]quinazoline;2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-4-phenylquinazoline

4-(9,9-dimethylfluoren-2-yl)-2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline;4-naphthalen-1-yl-2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)quinazoline;2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)-4-phenylbenzo[h]quinazoline;2-(3-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-4-phenylquinazoline;3-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-1-phenylbenzo[f]quinazoline;2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-4-phenylquinazoline (PubChem CID 159088161) has the molecular formula C237H146N12O3S3 and a molecular weight of 3306.06 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline;4-naphthalen-1-yl-2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)quinazoline;2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)-4-phenylbenzo[h]quinazoline;2-(3-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-4-phenylquinazoline;3-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-1-phenylbenzo[f]quinazoline;2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-4-phenylquinazoline.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-2-yl)-2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline;4-naphthalen-1-yl-2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)quinazoline;2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)-4-phenylbenzo[h]quinazoline;2-(3-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-4-phenylquinazoline;3-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-1-phenylbenzo[f]quinazoline;2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-4-phenylquinazoline
PubChem CID159088161
Molecular FormulaC237H146N12O3S3
Molecular Weight3306.06 g/mol
Exact Mass3303.08
IUPAC Name4-(9,9-dimethylfluoren-2-yl)-2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline;4-naphthalen-1-yl-2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)quinazoline;2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)-4-phenylbenzo[h]quinazoline;2-(3-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-4-phenylquinazoline;3-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-1-phenylbenzo[f]quinazoline;2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-4-phenylquinazoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc(-c5ccc6ccc7c8ccccc8oc7c6c5)c4)nc4ccccc34)cc21.c1cc(-c2ccc3cc4c(cc3c2)sc2ccccc24)cc(-c2nc(-c3cccc4ccccc34)c3ccccc3n2)c1.c1ccc(-c2nc(-c3cccc(-c4ccc5cc6c(cc5c4)oc4ccccc46)c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5cc6c(cc5c4)sc4ccccc46)c3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5cc6c(cc5c4)sc4ccccc46)c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5ccc6c7ccccc7oc6c5c4)c3)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C45H30N2O.C40H24N2O.2C40H24N2S.C36H22N2O.C36H22N2S/c1-45(2)38-15-6-3-12-32(38)33-22-21-30(26-39(33)45)42-36-14-4-7-16-40(36)46-44(47-42)31-11-9-10-28(24-31)29-19-18-27-20-23-35-34-13-5-8-17-41(34)48-43(35)37(27)25-29;1-2-10-27(11-3-1)37-34-22-20-25-9-4-5-14-31(25)38(34)42-40(41-37)30-13-8-12-28(23-30)29-18-17-26-19-21-33-32-15-6-7-16-36(32)43-39(33)35(26)24-29;1-2-13-31-25(9-1)10-8-16-33(31)39-34-15-3-5-17-36(34)41-40(42-39)29-12-7-11-26(21-29)27-19-20-28-23-35-32-14-4-6-18-37(32)43-38(35)24-30(28)22-27;1-2-10-26(11-3-1)39-38-32-14-5-4-9-25(32)19-20-35(38)41-40(42-39)30-13-8-12-27(21-30)28-17-18-29-23-34-33-15-6-7-16-36(33)43-37(34)24-31(29)22-28;2*1-2-9-23(10-3-1)35-30-14-4-6-15-32(30)37-36(38-35)27-12-8-11-24(19-27)25-17-18-26-21-31-29-13-5-7-16-33(29)39-34(31)22-28(26)20-25/h3-26H,1-2H3;3*1-24H;2*1-22H
InChIKeyKBSGTTJZCWUAQX-UHFFFAOYSA-N
XLogP65.27
TPSA194.10 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms255
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003306.06
LogP ≤ 565.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-(9,9-dimethylfluoren-2-yl)-2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline;4-naphthalen-1-yl-2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)quinazoline;2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)-4-phenylbenzo[h]quinazoline;2-(3-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-4-phenylquinazoline;3-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-1-phenylbenzo[f]quinazoline;2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-4-phenylquinazoline with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline;4-naphthalen-1-yl-2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)quinazoline;2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)-4-phenylbenzo[h]quinazoline;2-(3-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-4-phenylquinazoline;3-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-1-phenylbenzo[f]quinazoline;2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-4-phenylquinazoline?
The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline;4-naphthalen-1-yl-2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)quinazoline;2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)-4-phenylbenzo[h]quinazoline;2-(3-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-4-phenylquinazoline;3-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-1-phenylbenzo[f]quinazoline;2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-4-phenylquinazoline (CID 159088161) is 4-(9,9-dimethylfluoren-2-yl)-2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline;4-naphthalen-1-yl-2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)quinazoline;2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)-4-phenylbenzo[h]quinazoline;2-(3-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-4-phenylquinazoline;3-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-1-phenylbenzo[f]quinazoline;2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-4-phenylquinazoline.
What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)-2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline;4-naphthalen-1-yl-2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)quinazoline;2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)-4-phenylbenzo[h]quinazoline;2-(3-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-4-phenylquinazoline;3-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-1-phenylbenzo[f]quinazoline;2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-4-phenylquinazoline?
The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)-2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline;4-naphthalen-1-yl-2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)quinazoline;2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)-4-phenylbenzo[h]quinazoline;2-(3-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-4-phenylquinazoline;3-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-1-phenylbenzo[f]quinazoline;2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-4-phenylquinazoline is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc(-c5ccc6ccc7c8ccccc8oc7c6c5)c4)nc4ccccc34)cc21.c1cc(-c2ccc3cc4c(cc3c2)sc2ccccc24)cc(-c2nc(-c3cccc4ccccc34)c3ccccc3n2)c1.c1ccc(-c2nc(-c3cccc(-c4ccc5cc6c(cc5c4)oc4ccccc46)c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5cc6c(cc5c4)sc4ccccc46)c3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5cc6c(cc5c4)sc4ccccc46)c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5ccc6c7ccccc7oc6c5c4)c3)nc3c2ccc2ccccc23)cc1.
What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)-2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline;4-naphthalen-1-yl-2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)quinazoline;2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)-4-phenylbenzo[h]quinazoline;2-(3-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-4-phenylquinazoline;3-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-1-phenylbenzo[f]quinazoline;2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-4-phenylquinazoline?
The InChIKey is KBSGTTJZCWUAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2O.C40H24N2O.2C40H24N2S.C36H22N2O.C36H22N2S/c1-45(2)38-15-6-3-12-32(38)33-22-21-30(26-39(33)45)42-36-14-4-7-16-40(36)46-44(47-42)31-11-9-10-28(24-31)29-19-18-27-20-23-35-34-13-5-8-17-41(34)48-43(35)37(27)25-29;1-2-10-27(11-3-1)37-34-22-20-25-9-4-5-14-31(25)38(34)42-40(41-37)30-13-8-12-28(23-30)29-18-17-26-19-21-33-32-15-6-7-16-36(32)43-39(33)35(26)24-29;1-2-13-31-25(9-1)10-8-16-33(31)39-34-15-3-5-17-36(34)41-40(42-39)29-12-7-11-26(21-29)27-19-20-28-23-35-32-14-4-6-18-37(32)43-38(35)24-30(28)22-27;1-2-10-26(11-3-1)39-38-32-14-5-4-9-25(32)19-20-35(38)41-40(42-39)30-13-8-12-27(21-30)28-17-18-29-23-34-33-15-6-7-16-36(33)43-37(34)24-31(29)22-28;2*1-2-9-23(10-3-1)35-30-14-4-6-15-32(30)37-36(38-35)27-12-8-11-24(19-27)25-17-18-26-21-31-29-13-5-7-16-33(29)39-34(31)22-28(26)20-25/h3-26H,1-2H3;3*1-24H;2*1-22H.
What are the key properties of 4-(9,9-dimethylfluoren-2-yl)-2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline;4-naphthalen-1-yl-2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)quinazoline;2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)-4-phenylbenzo[h]quinazoline;2-(3-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-4-phenylquinazoline;3-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-1-phenylbenzo[f]quinazoline;2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-4-phenylquinazoline?
4-(9,9-dimethylfluoren-2-yl)-2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline;4-naphthalen-1-yl-2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)quinazoline;2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)-4-phenylbenzo[h]quinazoline;2-(3-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-4-phenylquinazoline;3-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-1-phenylbenzo[f]quinazoline;2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-4-phenylquinazoline has a molecular weight of 3306.06 g/mol, XLogP of 65.27, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-2-yl)-2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline;4-naphthalen-1-yl-2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)quinazoline;2-(3-naphtho[1,2-b][1]benzofuran-2-ylphenyl)-4-phenylbenzo[h]quinazoline;2-(3-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-4-phenylquinazoline;3-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-1-phenylbenzo[f]quinazoline;2-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-4-phenylquinazoline is sourced from PubChem (CID 159088161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).