2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline

C132H78N8O2S2 — CID 165009597

IUPAC2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline
SMILESc1ccc(-c2nc(-c3ccc4ccc5oc6ccccc6c5c4c3)nc3c2ccc2ccccc23)cc1.c1ccc(-c2nc(-c3ccc4ccc5oc6ccccc6c5c4c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccc4ccc5sc6ccccc6c5c4c3)nc3c2ccc2ccccc23)cc1.c1ccc(-c2nc(-c3ccc4ccc5sc6ccccc6c5c4c3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C34H20N2O.2C34H20N2S.C30H18N2O/c1-2-9-23(10-3-1)32-27-18-16-21-8-4-5-11-25(21)33(27)36-34(35-32)24-15-14-22-17-19-30-31(28(22)20-24)26-12-6-7-13-29(26)37-30;1-2-9-23(10-3-1)33-32-25-11-5-4-8-21(25)16-18-28(32)35-34(36-33)24-15-14-22-17-19-30-31(27(22)20-24)26-12-6-7-13-29(26)37-30;1-2-9-23(10-3-1)32-27-18-16-21-8-4-5-11-25(21)33(27)36-34(35-32)24-15-14-22-17-19-30-31(28(22)20-24)26-12-6-7-13-29(26)37-30;1-2-8-20(9-3-1)29-22-10-4-6-12-25(22)31-30(32-29)21-15-14-19-16-17-27-28(24(19)18-21)23-11-5-7-13-26(23)33-27/h3*1-20H;1-18H
InChIKeyJMMMKNGMOTTXAI-UHFFFAOYSA-N
MW1872.26 g/mol
LogP36.46
Rot. Bonds8

About 2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline

2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline (PubChem CID 165009597) has the molecular formula C132H78N8O2S2 and a molecular weight of 1872.26 g/mol. Its IUPAC name is 2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline.

Molecular Properties

Compound Name2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline
PubChem CID165009597
Molecular FormulaC132H78N8O2S2
Molecular Weight1872.26 g/mol
Exact Mass1870.57
IUPAC Name2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline
SMILESc1ccc(-c2nc(-c3ccc4ccc5oc6ccccc6c5c4c3)nc3c2ccc2ccccc23)cc1.c1ccc(-c2nc(-c3ccc4ccc5oc6ccccc6c5c4c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccc4ccc5sc6ccccc6c5c4c3)nc3c2ccc2ccccc23)cc1.c1ccc(-c2nc(-c3ccc4ccc5sc6ccccc6c5c4c3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C34H20N2O.2C34H20N2S.C30H18N2O/c1-2-9-23(10-3-1)32-27-18-16-21-8-4-5-11-25(21)33(27)36-34(35-32)24-15-14-22-17-19-30-31(28(22)20-24)26-12-6-7-13-29(26)37-30;1-2-9-23(10-3-1)33-32-25-11-5-4-8-21(25)16-18-28(32)35-34(36-33)24-15-14-22-17-19-30-31(27(22)20-24)26-12-6-7-13-29(26)37-30;1-2-9-23(10-3-1)32-27-18-16-21-8-4-5-11-25(21)33(27)36-34(35-32)24-15-14-22-17-19-30-31(28(22)20-24)26-12-6-7-13-29(26)37-30;1-2-8-20(9-3-1)29-22-10-4-6-12-25(22)31-30(32-29)21-15-14-19-16-17-27-28(24(19)18-21)23-11-5-7-13-26(23)33-27/h3*1-20H;1-18H
InChIKeyJMMMKNGMOTTXAI-UHFFFAOYSA-N
XLogP36.46
TPSA129.40 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001872.26
LogP ≤ 536.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline with MolForge

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Related Compounds

3-naphtho[1,2-b][1]benzofuran-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[1,2-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[1,2-b][1]benzothiol-2-yl-4-phenylquinazoline
CID 158768602
3-naphtho[7,6-b][1]benzofuran-7-yl-1-phenylbenzo[f]quinazoline;2-naphtho[7,6-b][1]benzofuran-7-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-1-yl-4-phenylquinazoline;2-naphtho[7,6-b][1]benzofuran-7-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-1-yl-1-phenylbenzo[f]quinazoline;3-naphtho[7,6-b][1]benzothiol-7-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-1-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzothiol-1-yl-4-phenylquinazoline
CID 159154689
4-phenyl-2-(22-thiahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8(13),9,11,15(23),16,18,20,24-dodecaen-10-yl)benzo[h]quinazoline
CID 147629543
3-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-5-yl)-1-phenylbenzo[f]quinazoline
CID 167698842
2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenylquinazoline
CID 155473673
2-(4-naphtho[2,1-b][1]benzothiol-2-ylnaphthalen-1-yl)-4-phenylquinazoline
CID 155474193
19-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene
CID 164940124
2-naphtho[2,1-b][1]benzofuran-9-yl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 169048407
3-naphthalen-2-yl-1-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline;2-naphthalen-2-yl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzo[h]quinazoline;bis(2-naphthalen-2-yl-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[h]quinazoline);3-naphthalen-2-yl-1-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzo[f]quinazoline;2-naphthalen-2-yl-4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzo[h]quinazoline
CID 160741572
2,4-diphenyl-6-[3-(22-thiahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-1,3,5-triazine;2-[3-(22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165060528
5-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
CID 166009844
2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[3-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 163626676

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline?
The IUPAC name of 2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline (CID 165009597) is 2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline.
What is the SMILES notation for 2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline?
The canonical SMILES for 2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline is c1ccc(-c2nc(-c3ccc4ccc5oc6ccccc6c5c4c3)nc3c2ccc2ccccc23)cc1.c1ccc(-c2nc(-c3ccc4ccc5oc6ccccc6c5c4c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccc4ccc5sc6ccccc6c5c4c3)nc3c2ccc2ccccc23)cc1.c1ccc(-c2nc(-c3ccc4ccc5sc6ccccc6c5c4c3)nc3ccc4ccccc4c23)cc1.
What is the InChIKey of 2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline?
The InChIKey is JMMMKNGMOTTXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N2O.2C34H20N2S.C30H18N2O/c1-2-9-23(10-3-1)32-27-18-16-21-8-4-5-11-25(21)33(27)36-34(35-32)24-15-14-22-17-19-30-31(28(22)20-24)26-12-6-7-13-29(26)37-30;1-2-9-23(10-3-1)33-32-25-11-5-4-8-21(25)16-18-28(32)35-34(36-33)24-15-14-22-17-19-30-31(27(22)20-24)26-12-6-7-13-29(26)37-30;1-2-9-23(10-3-1)32-27-18-16-21-8-4-5-11-25(21)33(27)36-34(35-32)24-15-14-22-17-19-30-31(28(22)20-24)26-12-6-7-13-29(26)37-30;1-2-8-20(9-3-1)29-22-10-4-6-12-25(22)31-30(32-29)21-15-14-19-16-17-27-28(24(19)18-21)23-11-5-7-13-26(23)33-27/h3*1-20H;1-18H.
What are the key properties of 2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline?
2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline has a molecular weight of 1872.26 g/mol, XLogP of 36.46, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline is sourced from PubChem (CID 165009597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).