4-[14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene

C208H128N16 — CID 158466135

About 4-[14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene

4-[14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene (PubChem CID 158466135) has the molecular formula C208H128N16 and a molecular weight of 2851.42 g/mol. Its IUPAC name is 4-[14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene.

Molecular Properties

• Compound Name: 4-[14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
• PubChem CID: 158466135
• Molecular Formula: C208H128N16
• Molecular Weight: 2851.42 g/mol
• Exact Mass: 2849.05
• IUPAC Name: 4-[14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ncc6c(n5)-c5ccccc5-c5ccccc5-c5ccccc5-6)c34)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ncc7c(n6)-c6ccccc6-c6ccccc6-c6ccccc6-7)c5ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ncc4c(n3)-c3ccccc3-c3ccccc3-c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ncc7c(n6)-c6ccccc6-c6ccccc6-c6ccccc6-7)c5cc43)cc2)cc1
• InChI: InChI=1S/4C52H32N4/c1-2-14-33(15-3-1)34-26-28-35(29-27-34)55-47-24-12-10-21-41(47)44-31-50-45(30-49(44)55)42-22-11-13-25-48(42)56(50)52-53-32-46-40-20-7-6-18-38(40)36-16-4-5-17-37(36)39-19-8-9-23-43(39)51(46)54-52;1-2-14-33(15-3-1)34-26-28-35(29-27-34)55-47-24-12-10-21-41(47)44-30-45-42-22-11-13-25-48(42)56(50(45)31-49(44)55)52-53-32-46-40-20-7-6-18-38(40)36-16-4-5-17-37(36)39-19-8-9-23-43(39)51(46)54-52;1-2-14-33(15-3-1)34-26-28-35(29-27-34)55-47-25-13-11-23-44(47)49-48(55)31-30-43-41-21-10-12-24-46(41)56(51(43)49)52-53-32-45-40-20-7-6-18-38(40)36-16-4-5-17-37(36)39-19-8-9-22-42(39)50(45)54-52;1-2-14-33(15-3-1)34-26-28-35(29-27-34)55-45-24-12-10-22-42(45)49-47(55)30-31-48-50(49)43-23-11-13-25-46(43)56(48)52-53-32-44-40-20-7-6-18-38(40)36-16-4-5-17-37(36)39-19-8-9-21-41(39)51(44)54-52/h4*1-32H/b2*38-36-,39-37-,46-40-,51-43+;38-36-,39-37-,45-40-,50-42+;38-36-,39-37-,44-40-,51-41+
• InChIKey: HFTRTJSHWUUQRM-HABJQQFPSA-N
• XLogP: 53.28
• TPSA: 142.56 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2851.42
LogP ≤ 5	53.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4-[14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?

The IUPAC name of 4-[14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene (CID 158466135) is 4-[14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene.

What is the SMILES notation for 4-[14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?

The canonical SMILES for 4-[14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene is c1ccc(-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ncc6c(n5)-c5ccccc5-c5ccccc5-c5ccccc5-6)c34)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ncc7c(n6)-c6ccccc6-c6ccccc6-c6ccccc6-7)c5ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ncc4c(n3)-c3ccccc3-c3ccccc3-c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ncc7c(n6)-c6ccccc6-c6ccccc6-c6ccccc6-7)c5cc43)cc2)cc1.

What is the InChIKey of 4-[14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?

The InChIKey is HFTRTJSHWUUQRM-HABJQQFPSA-N. The full InChI is InChI=1S/4C52H32N4/c1-2-14-33(15-3-1)34-26-28-35(29-27-34)55-47-24-12-10-21-41(47)44-31-50-45(30-49(44)55)42-22-11-13-25-48(42)56(50)52-53-32-46-40-20-7-6-18-38(40)36-16-4-5-17-37(36)39-19-8-9-23-43(39)51(46)54-52;1-2-14-33(15-3-1)34-26-28-35(29-27-34)55-47-24-12-10-21-41(47)44-30-45-42-22-11-13-25-48(42)56(50(45)31-49(44)55)52-53-32-46-40-20-7-6-18-38(40)36-16-4-5-17-37(36)39-19-8-9-23-43(39)51(46)54-52;1-2-14-33(15-3-1)34-26-28-35(29-27-34)55-47-25-13-11-23-44(47)49-48(55)31-30-43-41-21-10-12-24-46(41)56(51(43)49)52-53-32-45-40-20-7-6-18-38(40)36-16-4-5-17-37(36)39-19-8-9-22-42(39)50(45)54-52;1-2-14-33(15-3-1)34-26-28-35(29-27-34)55-45-24-12-10-22-42(45)49-47(55)30-31-48-50(49)43-23-11-13-25-46(43)56(48)52-53-32-44-40-20-7-6-18-38(40)36-16-4-5-17-37(36)39-19-8-9-21-41(39)51(44)54-52/h4*1-32H/b2*38-36-,39-37-,46-40-,51-43+;38-36-,39-37-,45-40-,50-42+;38-36-,39-37-,44-40-,51-41+.

What are the key properties of 4-[14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?

4-[14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene has a molecular weight of 2851.42 g/mol, XLogP of 53.28, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene is sourced from PubChem (CID 158466135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).