12-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-7-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(3-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C192H121N9 — CID 159448508

About 12-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-7-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(3-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

12-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-7-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(3-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 159448508) has the molecular formula C192H121N9 and a molecular weight of 2554.14 g/mol. Its IUPAC name is 12-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-7-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(3-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 12-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-7-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(3-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• PubChem CID: 159448508
• Molecular Formula: C192H121N9
• Molecular Weight: 2554.14 g/mol
• Exact Mass: 2551.97
• IUPAC Name: 12-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-7-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(3-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4nc(-c5cccc6c(-n7c8ccc9ccccc9c8c8c9cccc(-c%10ccccc%10)c9ccc87)cccc56)nc5ccccc45)cc3)c2)cc1.c1ccc(-c2ccc(-c3ccc(-c4nc(-c5cccc6c(-n7c8ccc9ccccc9c8c8c9ccccc9c(-c9ccccc9)cc87)cccc56)nc5ccccc45)cc3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc(-c5cccc6c(-n7c8ccc9ccccc9c8c8c9ccccc9c(-c9ccccc9)cc87)cccc56)nc5ccccc45)cc3)c2)cc1
• InChI: InChI=1S/C68H43N3.2C62H39N3/c1-4-17-44(18-5-1)50-41-51(45-19-6-2-7-20-45)43-52(42-50)46-33-35-49(36-34-46)67-60-25-12-13-31-61(60)69-68(70-67)59-30-15-28-57-55(59)27-16-32-62(57)71-63-39-37-48-23-10-11-24-54(48)65(63)66-58-29-14-26-53(47-21-8-3-9-22-47)56(58)38-40-64(66)71;1-3-16-40(17-4-1)45-21-13-22-46(38-45)41-32-34-44(35-33-41)61-53-26-11-12-30-55(53)63-62(64-61)52-29-14-28-50-48(52)27-15-31-56(50)65-57-37-36-43-20-7-8-23-47(43)59(57)60-51-25-10-9-24-49(51)54(39-58(60)65)42-18-5-2-6-19-42;1-3-15-40(16-4-1)41-29-31-42(32-30-41)43-33-35-46(36-34-43)61-53-23-11-12-27-55(53)63-62(64-61)52-26-13-25-50-48(52)24-14-28-56(50)65-57-38-37-45-19-7-8-20-47(45)59(57)60-51-22-10-9-21-49(51)54(39-58(60)65)44-17-5-2-6-18-44/h1-43H;2*1-39H
• InChIKey: LTBJUJLFXLHWIR-UHFFFAOYSA-N
• XLogP: 51.23
• TPSA: 92.13 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 19
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2554.14
LogP ≤ 5	51.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 12-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-7-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(3-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The IUPAC name of 12-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-7-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(3-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 159448508) is 12-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-7-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(3-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

What is the SMILES notation for 12-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-7-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(3-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The canonical SMILES for 12-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-7-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(3-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4nc(-c5cccc6c(-n7c8ccc9ccccc9c8c8c9cccc(-c%10ccccc%10)c9ccc87)cccc56)nc5ccccc45)cc3)c2)cc1.c1ccc(-c2ccc(-c3ccc(-c4nc(-c5cccc6c(-n7c8ccc9ccccc9c8c8c9ccccc9c(-c9ccccc9)cc87)cccc56)nc5ccccc45)cc3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc(-c5cccc6c(-n7c8ccc9ccccc9c8c8c9ccccc9c(-c9ccccc9)cc87)cccc56)nc5ccccc45)cc3)c2)cc1.

What is the InChIKey of 12-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-7-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(3-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The InChIKey is LTBJUJLFXLHWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43N3.2C62H39N3/c1-4-17-44(18-5-1)50-41-51(45-19-6-2-7-20-45)43-52(42-50)46-33-35-49(36-34-46)67-60-25-12-13-31-61(60)69-68(70-67)59-30-15-28-57-55(59)27-16-32-62(57)71-63-39-37-48-23-10-11-24-54(48)65(63)66-58-29-14-26-53(47-21-8-3-9-22-47)56(58)38-40-64(66)71;1-3-16-40(17-4-1)45-21-13-22-46(38-45)41-32-34-44(35-33-41)61-53-26-11-12-30-55(53)63-62(64-61)52-29-14-28-50-48(52)27-15-31-56(50)65-57-37-36-43-20-7-8-23-47(43)59(57)60-51-25-10-9-24-49(51)54(39-58(60)65)42-18-5-2-6-19-42;1-3-15-40(16-4-1)41-29-31-42(32-30-41)43-33-35-46(36-34-43)61-53-23-11-12-27-55(53)63-62(64-61)52-26-13-25-50-48(52)24-14-28-56(50)65-57-38-37-45-19-7-8-20-47(45)59(57)60-51-22-10-9-21-49(51)54(39-58(60)65)44-17-5-2-6-18-44/h1-43H;2*1-39H.

What are the key properties of 12-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-7-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(3-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

12-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-7-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(3-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 2554.14 g/mol, XLogP of 51.23, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[5-[4-[4-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-7-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(3-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 159448508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).