9,14-bis[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis[4-[4-(4-methylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;bis(9-[4-(4-methylphenyl)phenyl]-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);9-[4-(4-methylphenyl)phenyl]-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C257H190N10 — CID 160687281

About 9,14-bis[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis[4-[4-(4-methylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;bis(9-[4-(4-methylphenyl)phenyl]-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);9-[4-(4-methylphenyl)phenyl]-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9,14-bis[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis[4-[4-(4-methylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;bis(9-[4-(4-methylphenyl)phenyl]-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);9-[4-(4-methylphenyl)phenyl]-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 160687281) has the molecular formula C257H190N10 and a molecular weight of 3420.43 g/mol. Its IUPAC name is 9,14-bis[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis[4-[4-(4-methylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;bis(9-[4-(4-methylphenyl)phenyl]-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);9-[4-(4-methylphenyl)phenyl]-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 9,14-bis[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis[4-[4-(4-methylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;bis(9-[4-(4-methylphenyl)phenyl]-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);9-[4-(4-methylphenyl)phenyl]-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• PubChem CID: 160687281
• Molecular Formula: C257H190N10
• Molecular Weight: 3420.43 g/mol
• Exact Mass: 3417.53
• IUPAC Name: 9,14-bis[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis[4-[4-(4-methylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;bis(9-[4-(4-methylphenyl)phenyl]-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);9-[4-(4-methylphenyl)phenyl]-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• SMILES: Cc1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc(-c8ccc(-c9ccc(C)cc9)cc8)cc7)c6ccc54)cc3)cc2)cc1.Cc1ccc(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c5ccc43)cc2)cc1.Cc1ccc(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)c5ccc43)cc2)cc1.Cc1ccc(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)c5ccc43)cc2)cc1.[2H]C1(c2ccc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc(-c8ccc(C9([2H])CCCCC9)cc8)cc7)c6ccc54)cc3)cc2)CCCCC1
• InChI: InChI=1S/C56H40N2.C54H48N2.3C49H34N2/c1-37-11-15-39(16-12-37)41-19-23-43(24-20-41)45-27-31-47(32-28-45)57-51-9-5-3-7-49(51)55-53(57)35-36-54-56(55)50-8-4-6-10-52(50)58(54)48-33-29-46(30-34-48)44-25-21-42(22-26-44)40-17-13-38(2)14-18-40;1-3-11-37(12-4-1)39-19-23-41(24-20-39)43-27-31-45(32-28-43)55-49-17-9-7-15-47(49)53-51(55)35-36-52-54(53)48-16-8-10-18-50(48)56(52)46-33-29-44(30-34-46)42-25-21-40(22-26-42)38-13-5-2-6-14-38;2*1-33-18-20-35(21-19-33)37-26-28-40(29-27-37)50-44-16-7-5-14-42(44)48-46(50)30-31-47-49(48)43-15-6-8-17-45(43)51(47)41-13-9-12-39(32-41)38-24-22-36(23-25-38)34-10-3-2-4-11-34;1-33-15-17-35(18-16-33)38-23-27-40(28-24-38)50-44-13-7-5-11-42(44)48-46(50)31-32-47-49(48)43-12-6-8-14-45(43)51(47)41-29-25-39(26-30-41)37-21-19-36(20-22-37)34-9-3-2-4-10-34/h3-36H,1-2H3;7-10,15-38H,1-6,11-14H2;3*2-32H,1H3/i;37D,38D
• InChIKey: ROXWHENQOWUNEU-BPMYBBEVSA-N
• XLogP: 70.05
• TPSA: 49.30 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 27
• Heavy Atoms: 267
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3420.43
LogP ≤ 5	70.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 9,14-bis[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis[4-[4-(4-methylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;bis(9-[4-(4-methylphenyl)phenyl]-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);9-[4-(4-methylphenyl)phenyl]-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The IUPAC name of 9,14-bis[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis[4-[4-(4-methylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;bis(9-[4-(4-methylphenyl)phenyl]-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);9-[4-(4-methylphenyl)phenyl]-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 160687281) is 9,14-bis[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis[4-[4-(4-methylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;bis(9-[4-(4-methylphenyl)phenyl]-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);9-[4-(4-methylphenyl)phenyl]-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

What is the SMILES notation for 9,14-bis[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis[4-[4-(4-methylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;bis(9-[4-(4-methylphenyl)phenyl]-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);9-[4-(4-methylphenyl)phenyl]-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The canonical SMILES for 9,14-bis[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis[4-[4-(4-methylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;bis(9-[4-(4-methylphenyl)phenyl]-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);9-[4-(4-methylphenyl)phenyl]-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is Cc1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc(-c8ccc(-c9ccc(C)cc9)cc8)cc7)c6ccc54)cc3)cc2)cc1.Cc1ccc(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)c5ccc43)cc2)cc1.Cc1ccc(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)c5ccc43)cc2)cc1.Cc1ccc(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)c5ccc43)cc2)cc1.[2H]C1(c2ccc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc(-c8ccc(C9([2H])CCCCC9)cc8)cc7)c6ccc54)cc3)cc2)CCCCC1.

What is the InChIKey of 9,14-bis[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis[4-[4-(4-methylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;bis(9-[4-(4-methylphenyl)phenyl]-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);9-[4-(4-methylphenyl)phenyl]-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The InChIKey is ROXWHENQOWUNEU-BPMYBBEVSA-N. The full InChI is InChI=1S/C56H40N2.C54H48N2.3C49H34N2/c1-37-11-15-39(16-12-37)41-19-23-43(24-20-41)45-27-31-47(32-28-45)57-51-9-5-3-7-49(51)55-53(57)35-36-54-56(55)50-8-4-6-10-52(50)58(54)48-33-29-46(30-34-48)44-25-21-42(22-26-44)40-17-13-38(2)14-18-40;1-3-11-37(12-4-1)39-19-23-41(24-20-39)43-27-31-45(32-28-43)55-49-17-9-7-15-47(49)53-51(55)35-36-52-54(53)48-16-8-10-18-50(48)56(52)46-33-29-44(30-34-46)42-25-21-40(22-26-42)38-13-5-2-6-14-38;2*1-33-18-20-35(21-19-33)37-26-28-40(29-27-37)50-44-16-7-5-14-42(44)48-46(50)30-31-47-49(48)43-15-6-8-17-45(43)51(47)41-13-9-12-39(32-41)38-24-22-36(23-25-38)34-10-3-2-4-11-34;1-33-15-17-35(18-16-33)38-23-27-40(28-24-38)50-44-13-7-5-11-42(44)48-46(50)31-32-47-49(48)43-12-6-8-14-45(43)51(47)41-29-25-39(26-30-41)37-21-19-36(20-22-37)34-9-3-2-4-10-34/h3-36H,1-2H3;7-10,15-38H,1-6,11-14H2;3*2-32H,1H3/i;37D,38D;;;.

What are the key properties of 9,14-bis[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis[4-[4-(4-methylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;bis(9-[4-(4-methylphenyl)phenyl]-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);9-[4-(4-methylphenyl)phenyl]-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

9,14-bis[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis[4-[4-(4-methylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;bis(9-[4-(4-methylphenyl)phenyl]-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);9-[4-(4-methylphenyl)phenyl]-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 3420.43 g/mol, XLogP of 70.05, 27 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9,14-bis[4-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-bis[4-[4-(4-methylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;bis(9-[4-(4-methylphenyl)phenyl]-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene);9-[4-(4-methylphenyl)phenyl]-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 160687281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).