2-[4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-4-phenylquinazoline;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline

C150H92N8O4 — CID 167554885

IUPAC2-[4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-4-phenylquinazoline;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6c(c5)-c5cccc7cccc(c57)O6)cc4)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)-c4cccc6cccc(c46)O5)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6c(c5)-c5cccc7cccc(c57)O6)cc4)cc3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccc4c(c3)-c3cccc5cccc(c35)O4)nc3ccccc23)cc1
InChIInChI=1S/2C42H26N2O.C36H22N2O.C30H18N2O/c1-2-8-27(9-3-1)28-16-20-31(21-17-28)41-35-12-4-5-14-37(35)43-42(44-41)32-22-18-29(19-23-32)33-24-25-38-36(26-33)34-13-6-10-30-11-7-15-39(45-38)40(30)34;1-2-8-31(9-3-1)41-35-12-4-5-14-37(35)43-42(44-41)32-22-20-28(21-23-32)27-16-18-29(19-17-27)33-24-25-38-36(26-33)34-13-6-10-30-11-7-15-39(45-38)40(30)34;1-2-8-23(9-3-1)24-16-18-26(19-17-24)35-29-12-4-5-14-31(29)37-36(38-35)27-20-21-32-30(22-27)28-13-6-10-25-11-7-15-33(39-32)34(25)28;1-2-8-20(9-3-1)29-23-12-4-5-14-25(23)31-30(32-29)21-16-17-26-24(18-21)22-13-6-10-19-11-7-15-27(33-26)28(19)22/h2*1-26H;1-22H;1-18H
InChIKeyCWNMRFBVWFFBBO-UHFFFAOYSA-N
MW2070.44 g/mol
LogP39.89
Rot. Bonds13

About 2-[4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-4-phenylquinazoline;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline

2-[4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-4-phenylquinazoline;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline (PubChem CID 167554885) has the molecular formula C150H92N8O4 and a molecular weight of 2070.44 g/mol. Its IUPAC name is 2-[4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-4-phenylquinazoline;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline.

Molecular Properties

Compound Name2-[4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-4-phenylquinazoline;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline
PubChem CID167554885
Molecular FormulaC150H92N8O4
Molecular Weight2070.44 g/mol
Exact Mass2068.72
IUPAC Name2-[4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-4-phenylquinazoline;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6c(c5)-c5cccc7cccc(c57)O6)cc4)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)-c4cccc6cccc(c46)O5)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6c(c5)-c5cccc7cccc(c57)O6)cc4)cc3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccc4c(c3)-c3cccc5cccc(c35)O4)nc3ccccc23)cc1
InChIInChI=1S/2C42H26N2O.C36H22N2O.C30H18N2O/c1-2-8-27(9-3-1)28-16-20-31(21-17-28)41-35-12-4-5-14-37(35)43-42(44-41)32-22-18-29(19-23-32)33-24-25-38-36(26-33)34-13-6-10-30-11-7-15-39(45-38)40(30)34;1-2-8-31(9-3-1)41-35-12-4-5-14-37(35)43-42(44-41)32-22-20-28(21-23-32)27-16-18-29(19-17-27)33-24-25-38-36(26-33)34-13-6-10-30-11-7-15-39(45-38)40(30)34;1-2-8-23(9-3-1)24-16-18-26(19-17-24)35-29-12-4-5-14-31(29)37-36(38-35)27-20-21-32-30(22-27)28-13-6-10-25-11-7-15-33(39-32)34(25)28;1-2-8-20(9-3-1)29-23-12-4-5-14-25(23)31-30(32-29)21-16-17-26-24(18-21)22-13-6-10-19-11-7-15-27(33-26)28(19)22/h2*1-26H;1-22H;1-18H
InChIKeyCWNMRFBVWFFBBO-UHFFFAOYSA-N
XLogP39.89
TPSA140.04 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms162
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002070.44
LogP ≤ 539.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-4-phenylquinazoline;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-4-phenylquinazoline;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline?
The IUPAC name of 2-[4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-4-phenylquinazoline;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline (CID 167554885) is 2-[4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-4-phenylquinazoline;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline.
What is the SMILES notation for 2-[4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-4-phenylquinazoline;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline?
The canonical SMILES for 2-[4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-4-phenylquinazoline;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6c(c5)-c5cccc7cccc(c57)O6)cc4)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)-c4cccc6cccc(c46)O5)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6c(c5)-c5cccc7cccc(c57)O6)cc4)cc3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccc4c(c3)-c3cccc5cccc(c35)O4)nc3ccccc23)cc1.
What is the InChIKey of 2-[4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-4-phenylquinazoline;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline?
The InChIKey is CWNMRFBVWFFBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H26N2O.C36H22N2O.C30H18N2O/c1-2-8-27(9-3-1)28-16-20-31(21-17-28)41-35-12-4-5-14-37(35)43-42(44-41)32-22-18-29(19-23-32)33-24-25-38-36(26-33)34-13-6-10-30-11-7-15-39(45-38)40(30)34;1-2-8-31(9-3-1)41-35-12-4-5-14-37(35)43-42(44-41)32-22-20-28(21-23-32)27-16-18-29(19-17-27)33-24-25-38-36(26-33)34-13-6-10-30-11-7-15-39(45-38)40(30)34;1-2-8-23(9-3-1)24-16-18-26(19-17-24)35-29-12-4-5-14-31(29)37-36(38-35)27-20-21-32-30(22-27)28-13-6-10-25-11-7-15-33(39-32)34(25)28;1-2-8-20(9-3-1)29-23-12-4-5-14-25(23)31-30(32-29)21-16-17-26-24(18-21)22-13-6-10-19-11-7-15-27(33-26)28(19)22/h2*1-26H;1-22H;1-18H.
What are the key properties of 2-[4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-4-phenylquinazoline;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline?
2-[4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-4-phenylquinazoline;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline has a molecular weight of 2070.44 g/mol, XLogP of 39.89, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-4-phenylquinazoline;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline is sourced from PubChem (CID 167554885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).