8-[4-(2,4-diphenylquinazolin-8-yl)phenyl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(9-phenylcarbazol-2-yl)-8-(5-phenylpyrazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene

C208H135N17 — CID 161355806

About 8-[4-(2,4-diphenylquinazolin-8-yl)phenyl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(9-phenylcarbazol-2-yl)-8-(5-phenylpyrazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene

8-[4-(2,4-diphenylquinazolin-8-yl)phenyl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(9-phenylcarbazol-2-yl)-8-(5-phenylpyrazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene (PubChem CID 161355806) has the molecular formula C208H135N17 and a molecular weight of 2872.49 g/mol. Its IUPAC name is 8-[4-(2,4-diphenylquinazolin-8-yl)phenyl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(9-phenylcarbazol-2-yl)-8-(5-phenylpyrazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene.

Molecular Properties

• Compound Name: 8-[4-(2,4-diphenylquinazolin-8-yl)phenyl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(9-phenylcarbazol-2-yl)-8-(5-phenylpyrazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
• PubChem CID: 161355806
• Molecular Formula: C208H135N17
• Molecular Weight: 2872.49 g/mol
• Exact Mass: 2870.11
• IUPAC Name: 8-[4-(2,4-diphenylquinazolin-8-yl)phenyl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(9-phenylcarbazol-2-yl)-8-(5-phenylpyrazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
• SMILES: c1ccc(-c2cccc(-n3c4c(c5ccccc53)-c3ccccc3N(c3ccc(-c5cccc6c(-c7ccccc7)nc(-c7ccccc7)nc56)cc3)c3ccccc3-4)c2)cc1.c1ccc(-c2cnc(N3c4ccccc4-c4c(n(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c5ccccc45)-c4ccccc43)cn2)cc1.c1ccc(-c2nc(-c3ccc(N4c5ccccc5-c5c(n(-c6ccccc6)c6ccccc56)-c5ccccc54)c4ccccc34)nc3ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc(N5c6ccccc6-c6c(n(-c7ccccc7)c7ccccc67)-c6ccccc65)cc4)c3)nc3ccccc23)cc1
• InChI: InChI=1S/C58H38N4.C52H34N4.C50H32N4.C48H31N5/c1-4-18-39(19-5-1)43-24-16-25-45(38-43)62-52-32-14-11-27-48(52)54-47-26-10-13-31-51(47)61(53-33-15-12-28-49(53)57(54)62)44-36-34-40(35-37-44)46-29-17-30-50-55(41-20-6-2-7-21-41)59-58(60-56(46)50)42-22-8-3-9-23-42;1-3-16-36(17-4-1)50-41-22-7-11-26-45(41)53-52(54-50)38-19-15-18-37(34-38)35-30-32-40(33-31-35)55-46-27-12-8-23-42(46)49-43-24-9-13-28-47(43)56(39-20-5-2-6-21-39)51(49)44-25-10-14-29-48(44)55;1-3-17-33(18-4-1)48-38-23-9-13-27-42(38)51-50(52-48)37-31-32-46(36-22-8-7-21-35(36)37)54-44-29-15-11-25-40(44)47-39-24-10-14-28-43(39)53(34-19-5-2-6-20-34)49(47)41-26-12-16-30-45(41)54;1-3-15-32(16-4-1)40-30-50-46(31-49-40)53-43-25-13-9-21-38(43)47-37-20-8-12-24-42(37)52(48(47)39-22-10-14-26-44(39)53)34-27-28-36-35-19-7-11-23-41(35)51(45(36)29-34)33-17-5-2-6-18-33/h1-38H;1-34H;1-32H;1-31H
• InChIKey: VONHWIAQQPKGMD-UHFFFAOYSA-N
• XLogP: 54.53
• TPSA: 140.73 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2872.49
LogP ≤ 5	54.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 8-[4-(2,4-diphenylquinazolin-8-yl)phenyl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(9-phenylcarbazol-2-yl)-8-(5-phenylpyrazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The IUPAC name of 8-[4-(2,4-diphenylquinazolin-8-yl)phenyl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(9-phenylcarbazol-2-yl)-8-(5-phenylpyrazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene (CID 161355806) is 8-[4-(2,4-diphenylquinazolin-8-yl)phenyl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(9-phenylcarbazol-2-yl)-8-(5-phenylpyrazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene.

What is the SMILES notation for 8-[4-(2,4-diphenylquinazolin-8-yl)phenyl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(9-phenylcarbazol-2-yl)-8-(5-phenylpyrazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The canonical SMILES for 8-[4-(2,4-diphenylquinazolin-8-yl)phenyl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(9-phenylcarbazol-2-yl)-8-(5-phenylpyrazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene is c1ccc(-c2cccc(-n3c4c(c5ccccc53)-c3ccccc3N(c3ccc(-c5cccc6c(-c7ccccc7)nc(-c7ccccc7)nc56)cc3)c3ccccc3-4)c2)cc1.c1ccc(-c2cnc(N3c4ccccc4-c4c(n(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c5ccccc45)-c4ccccc43)cn2)cc1.c1ccc(-c2nc(-c3ccc(N4c5ccccc5-c5c(n(-c6ccccc6)c6ccccc56)-c5ccccc54)c4ccccc34)nc3ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc(N5c6ccccc6-c6c(n(-c7ccccc7)c7ccccc67)-c6ccccc65)cc4)c3)nc3ccccc23)cc1.

What is the InChIKey of 8-[4-(2,4-diphenylquinazolin-8-yl)phenyl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(9-phenylcarbazol-2-yl)-8-(5-phenylpyrazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The InChIKey is VONHWIAQQPKGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4.C52H34N4.C50H32N4.C48H31N5/c1-4-18-39(19-5-1)43-24-16-25-45(38-43)62-52-32-14-11-27-48(52)54-47-26-10-13-31-51(47)61(53-33-15-12-28-49(53)57(54)62)44-36-34-40(35-37-44)46-29-17-30-50-55(41-20-6-2-7-21-41)59-58(60-56(46)50)42-22-8-3-9-23-42;1-3-16-36(17-4-1)50-41-22-7-11-26-45(41)53-52(54-50)38-19-15-18-37(34-38)35-30-32-40(33-31-35)55-46-27-12-8-23-42(46)49-43-24-9-13-28-47(43)56(39-20-5-2-6-21-39)51(49)44-25-10-14-29-48(44)55;1-3-17-33(18-4-1)48-38-23-9-13-27-42(38)51-50(52-48)37-31-32-46(36-22-8-7-21-35(36)37)54-44-29-15-11-25-40(44)47-39-24-10-14-28-43(39)53(34-19-5-2-6-20-34)49(47)41-26-12-16-30-45(41)54;1-3-15-32(16-4-1)40-30-50-46(31-49-40)53-43-25-13-9-21-38(43)47-37-20-8-12-24-42(37)52(48(47)39-22-10-14-26-44(39)53)34-27-28-36-35-19-7-11-23-41(35)51(45(36)29-34)33-17-5-2-6-18-33/h1-38H;1-34H;1-32H;1-31H.

What are the key properties of 8-[4-(2,4-diphenylquinazolin-8-yl)phenyl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(9-phenylcarbazol-2-yl)-8-(5-phenylpyrazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

8-[4-(2,4-diphenylquinazolin-8-yl)phenyl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(9-phenylcarbazol-2-yl)-8-(5-phenylpyrazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene has a molecular weight of 2872.49 g/mol, XLogP of 54.53, 19 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(2,4-diphenylquinazolin-8-yl)phenyl]-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-(9-phenylcarbazol-2-yl)-8-(5-phenylpyrazin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-phenyl-8-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene is sourced from PubChem (CID 161355806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).