10,10-diphenyl-14-[3-[4-(4-phenylphenyl)quinazolin-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-[3-(4-phenylquinazolin-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-[3-(2,4,6-triphenylpyrimidin-5-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;14-[3-(1,10-phenanthrolin-2-yl)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

C220H140N12 — CID 158309552

About 10,10-diphenyl-14-[3-[4-(4-phenylphenyl)quinazolin-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-[3-(4-phenylquinazolin-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-[3-(2,4,6-triphenylpyrimidin-5-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;14-[3-(1,10-phenanthrolin-2-yl)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

10,10-diphenyl-14-[3-[4-(4-phenylphenyl)quinazolin-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-[3-(4-phenylquinazolin-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-[3-(2,4,6-triphenylpyrimidin-5-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;14-[3-(1,10-phenanthrolin-2-yl)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 (PubChem CID 158309552) has the molecular formula C220H140N12 and a molecular weight of 2951.62 g/mol. Its IUPAC name is 10,10-diphenyl-14-[3-[4-(4-phenylphenyl)quinazolin-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-[3-(4-phenylquinazolin-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-[3-(2,4,6-triphenylpyrimidin-5-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;14-[3-(1,10-phenanthrolin-2-yl)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.

Molecular Properties

• Compound Name: 10,10-diphenyl-14-[3-[4-(4-phenylphenyl)quinazolin-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-[3-(4-phenylquinazolin-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-[3-(2,4,6-triphenylpyrimidin-5-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;14-[3-(1,10-phenanthrolin-2-yl)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
• PubChem CID: 158309552
• Molecular Formula: C220H140N12
• Molecular Weight: 2951.62 g/mol
• Exact Mass: 2949.13
• IUPAC Name: 10,10-diphenyl-14-[3-[4-(4-phenylphenyl)quinazolin-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-[3-(4-phenylquinazolin-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-[3-(2,4,6-triphenylpyrimidin-5-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;14-[3-(1,10-phenanthrolin-2-yl)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
• SMILES: c1ccc(-c2ccc(-c3nc(-c4cccc(-c5nc6ccccc6c6cc7c(cc56)C(c5ccccc5)(c5ccccc5)c5ccccc5-7)c4)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-c3cccc(-c4nc5ccccc5c5cc6c(cc45)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3cccc(-c4nc5ccccc5c5cc6c(cc45)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)c3)c(-c3ccccc3)n2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)c(-c2cccc(-c3ccc5ccc6cccnc6c5n3)c2)nc2ccccc24)cc1
• InChI: InChI=1S/C60H39N3.C58H37N3.C52H33N3.C50H31N3/c1-6-21-40(22-7-1)57-55(58(41-23-8-2-9-24-41)63-59(62-57)42-25-10-3-11-26-42)43-27-20-28-44(37-43)56-51-39-53-50(38-49(51)48-34-17-19-36-54(48)61-56)47-33-16-18-35-52(47)60(53,45-29-12-4-13-30-45)46-31-14-5-15-32-46;1-4-17-38(18-5-1)39-31-33-40(34-32-39)55-47-27-12-15-30-54(47)60-57(61-55)42-20-16-19-41(35-42)56-50-37-52-49(36-48(50)46-26-11-14-29-53(46)59-56)45-25-10-13-28-51(45)58(52,43-21-6-2-7-22-43)44-23-8-3-9-24-44;1-4-17-34(18-5-1)49-41-27-12-15-30-48(41)54-51(55-49)36-20-16-19-35(31-36)50-44-33-46-43(32-42(44)40-26-11-14-29-47(40)53-50)39-25-10-13-28-45(39)52(46,37-21-6-2-7-22-37)38-23-8-3-9-24-38;1-3-16-36(17-4-1)50(37-18-5-2-6-19-37)43-22-9-7-20-38(43)41-30-40-39-21-8-10-23-46(39)53-47(42(40)31-44(41)50)35-14-11-13-34(29-35)45-27-26-33-25-24-32-15-12-28-51-48(32)49(33)52-45/h1-39H;1-37H;1-33H;1-31H
• InChIKey: GNMWURCNCQZADM-UHFFFAOYSA-N
• XLogP: 54.12
• TPSA: 154.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2951.62
LogP ≤ 5	54.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10,10-diphenyl-14-[3-[4-(4-phenylphenyl)quinazolin-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-[3-(4-phenylquinazolin-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-[3-(2,4,6-triphenylpyrimidin-5-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;14-[3-(1,10-phenanthrolin-2-yl)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?

The IUPAC name of 10,10-diphenyl-14-[3-[4-(4-phenylphenyl)quinazolin-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-[3-(4-phenylquinazolin-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-[3-(2,4,6-triphenylpyrimidin-5-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;14-[3-(1,10-phenanthrolin-2-yl)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 158309552) is 10,10-diphenyl-14-[3-[4-(4-phenylphenyl)quinazolin-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-[3-(4-phenylquinazolin-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-[3-(2,4,6-triphenylpyrimidin-5-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;14-[3-(1,10-phenanthrolin-2-yl)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.

What is the SMILES notation for 10,10-diphenyl-14-[3-[4-(4-phenylphenyl)quinazolin-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-[3-(4-phenylquinazolin-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-[3-(2,4,6-triphenylpyrimidin-5-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;14-[3-(1,10-phenanthrolin-2-yl)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?

The canonical SMILES for 10,10-diphenyl-14-[3-[4-(4-phenylphenyl)quinazolin-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-[3-(4-phenylquinazolin-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-[3-(2,4,6-triphenylpyrimidin-5-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;14-[3-(1,10-phenanthrolin-2-yl)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 is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5nc6ccccc6c6cc7c(cc56)C(c5ccccc5)(c5ccccc5)c5ccccc5-7)c4)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-c3cccc(-c4nc5ccccc5c5cc6c(cc45)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)c3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3cccc(-c4nc5ccccc5c5cc6c(cc45)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)c3)c(-c3ccccc3)n2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)c(-c2cccc(-c3ccc5ccc6cccnc6c5n3)c2)nc2ccccc24)cc1.

What is the InChIKey of 10,10-diphenyl-14-[3-[4-(4-phenylphenyl)quinazolin-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-[3-(4-phenylquinazolin-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-[3-(2,4,6-triphenylpyrimidin-5-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;14-[3-(1,10-phenanthrolin-2-yl)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?

The InChIKey is GNMWURCNCQZADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3.C58H37N3.C52H33N3.C50H31N3/c1-6-21-40(22-7-1)57-55(58(41-23-8-2-9-24-41)63-59(62-57)42-25-10-3-11-26-42)43-27-20-28-44(37-43)56-51-39-53-50(38-49(51)48-34-17-19-36-54(48)61-56)47-33-16-18-35-52(47)60(53,45-29-12-4-13-30-45)46-31-14-5-15-32-46;1-4-17-38(18-5-1)39-31-33-40(34-32-39)55-47-27-12-15-30-54(47)60-57(61-55)42-20-16-19-41(35-42)56-50-37-52-49(36-48(50)46-26-11-14-29-53(46)59-56)45-25-10-13-28-51(45)58(52,43-21-6-2-7-22-43)44-23-8-3-9-24-44;1-4-17-34(18-5-1)49-41-27-12-15-30-48(41)54-51(55-49)36-20-16-19-35(31-36)50-44-33-46-43(32-42(44)40-26-11-14-29-47(40)53-50)39-25-10-13-28-45(39)52(46,37-21-6-2-7-22-37)38-23-8-3-9-24-38;1-3-16-36(17-4-1)50(37-18-5-2-6-19-37)43-22-9-7-20-38(43)41-30-40-39-21-8-10-23-46(39)53-47(42(40)31-44(41)50)35-14-11-13-34(29-35)45-27-26-33-25-24-32-15-12-28-51-48(32)49(33)52-45/h1-39H;1-37H;1-33H;1-31H.

What are the key properties of 10,10-diphenyl-14-[3-[4-(4-phenylphenyl)quinazolin-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-[3-(4-phenylquinazolin-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-[3-(2,4,6-triphenylpyrimidin-5-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;14-[3-(1,10-phenanthrolin-2-yl)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?

10,10-diphenyl-14-[3-[4-(4-phenylphenyl)quinazolin-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-[3-(4-phenylquinazolin-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-[3-(2,4,6-triphenylpyrimidin-5-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;14-[3-(1,10-phenanthrolin-2-yl)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 has a molecular weight of 2951.62 g/mol, XLogP of 54.12, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-diphenyl-14-[3-[4-(4-phenylphenyl)quinazolin-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-[3-(4-phenylquinazolin-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-[3-(2,4,6-triphenylpyrimidin-5-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;14-[3-(1,10-phenanthrolin-2-yl)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 is sourced from PubChem (CID 158309552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).