23-[4-(4-isocyanophenyl)quinazolin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-isocyanoquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-[4-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-pyrido[2,3-b]indol-9-ylphenyl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene

C156H87N19 — CID 159032701

About 23-[4-(4-isocyanophenyl)quinazolin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-isocyanoquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-[4-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-pyrido[2,3-b]indol-9-ylphenyl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene

23-[4-(4-isocyanophenyl)quinazolin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-isocyanoquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-[4-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-pyrido[2,3-b]indol-9-ylphenyl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene (PubChem CID 159032701) has the molecular formula C156H87N19 and a molecular weight of 2227.54 g/mol. Its IUPAC name is 23-[4-(4-isocyanophenyl)quinazolin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-isocyanoquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-[4-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-pyrido[2,3-b]indol-9-ylphenyl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene.

Molecular Properties

• Compound Name: 23-[4-(4-isocyanophenyl)quinazolin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-isocyanoquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-[4-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-pyrido[2,3-b]indol-9-ylphenyl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene
• PubChem CID: 159032701
• Molecular Formula: C156H87N19
• Molecular Weight: 2227.54 g/mol
• Exact Mass: 2225.74
• IUPAC Name: 23-[4-(4-isocyanophenyl)quinazolin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-isocyanoquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-[4-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-pyrido[2,3-b]indol-9-ylphenyl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene
• SMILES: [C-]#[N+]c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6n6c7ccccc7c(cc43)c56)nc3ccccc23)cc1.[C-]#[N+]c1nc(-n2c3ccccc3c3c4c5ccccc5n5c6ccccc6c(cc32)c45)nc2ccccc12.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6c7ccccc7n7c8ccccc8c(cc54)c67)nc4cccnc34)cc2)cc1.c1ccc2c(c1)c1c3c4ccccc4n4c5ccccc5c(cc1n2-c1ccc(-n2c5ccccc5c5cccnc52)cc1)c34
• InChI: InChI=1S/C43H25N5.C41H24N4.C39H21N5.C33H17N5/c1-2-11-26(12-3-1)27-20-22-28(23-21-27)40-41-33(16-10-24-44-41)45-43(46-40)48-36-19-9-5-14-30(36)38-37(48)25-32-29-13-4-7-17-34(29)47-35-18-8-6-15-31(35)39(38)42(32)47;1-5-15-33-27(10-1)29-14-9-23-42-41(29)44(33)26-21-19-25(20-22-26)43-35-17-7-3-12-30(35)38-37(43)24-32-28-11-2-6-16-34(28)45-36-18-8-4-13-31(36)39(38)40(32)45;1-40-24-20-18-23(19-21-24)37-26-11-2-6-14-30(26)41-39(42-37)44-33-17-9-4-12-27(33)35-34(44)22-29-25-10-3-7-15-31(25)43-32-16-8-5-13-28(32)36(35)38(29)43;1-34-32-20-11-2-6-14-24(20)35-33(36-32)38-27-17-9-4-12-21(27)29-28(38)18-23-19-10-3-7-15-25(19)37-26-16-8-5-13-22(26)30(29)31(23)37/h1-25H;1-24H;2-22H;2-18H
• InChIKey: JVBOVTUIOMMKFA-UHFFFAOYSA-N
• XLogP: 39.55
• TPSA: 154.13 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2227.54
LogP ≤ 5	39.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 23-[4-(4-isocyanophenyl)quinazolin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-isocyanoquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-[4-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-pyrido[2,3-b]indol-9-ylphenyl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene?

The IUPAC name of 23-[4-(4-isocyanophenyl)quinazolin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-isocyanoquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-[4-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-pyrido[2,3-b]indol-9-ylphenyl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene (CID 159032701) is 23-[4-(4-isocyanophenyl)quinazolin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-isocyanoquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-[4-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-pyrido[2,3-b]indol-9-ylphenyl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene.

What is the SMILES notation for 23-[4-(4-isocyanophenyl)quinazolin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-isocyanoquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-[4-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-pyrido[2,3-b]indol-9-ylphenyl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene?

The canonical SMILES for 23-[4-(4-isocyanophenyl)quinazolin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-isocyanoquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-[4-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-pyrido[2,3-b]indol-9-ylphenyl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene is [C-]#[N+]c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6n6c7ccccc7c(cc43)c56)nc3ccccc23)cc1.[C-]#[N+]c1nc(-n2c3ccccc3c3c4c5ccccc5n5c6ccccc6c(cc32)c45)nc2ccccc12.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6c7ccccc7n7c8ccccc8c(cc54)c67)nc4cccnc34)cc2)cc1.c1ccc2c(c1)c1c3c4ccccc4n4c5ccccc5c(cc1n2-c1ccc(-n2c5ccccc5c5cccnc52)cc1)c34.

What is the InChIKey of 23-[4-(4-isocyanophenyl)quinazolin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-isocyanoquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-[4-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-pyrido[2,3-b]indol-9-ylphenyl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene?

The InChIKey is JVBOVTUIOMMKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N5.C41H24N4.C39H21N5.C33H17N5/c1-2-11-26(12-3-1)27-20-22-28(23-21-27)40-41-33(16-10-24-44-41)45-43(46-40)48-36-19-9-5-14-30(36)38-37(48)25-32-29-13-4-7-17-34(29)47-35-18-8-6-15-31(35)39(38)42(32)47;1-5-15-33-27(10-1)29-14-9-23-42-41(29)44(33)26-21-19-25(20-22-26)43-35-17-7-3-12-30(35)38-37(43)24-32-28-11-2-6-16-34(28)45-36-18-8-4-13-31(36)39(38)40(32)45;1-40-24-20-18-23(19-21-24)37-26-11-2-6-14-30(26)41-39(42-37)44-33-17-9-4-12-27(33)35-34(44)22-29-25-10-3-7-15-31(25)43-32-16-8-5-13-28(32)36(35)38(29)43;1-34-32-20-11-2-6-14-24(20)35-33(36-32)38-27-17-9-4-12-21(27)29-28(38)18-23-19-10-3-7-15-25(19)37-26-16-8-5-13-22(26)30(29)31(23)37/h1-25H;1-24H;2-22H;2-18H.

What are the key properties of 23-[4-(4-isocyanophenyl)quinazolin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-isocyanoquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-[4-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-pyrido[2,3-b]indol-9-ylphenyl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene?

23-[4-(4-isocyanophenyl)quinazolin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-isocyanoquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-[4-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-pyrido[2,3-b]indol-9-ylphenyl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene has a molecular weight of 2227.54 g/mol, XLogP of 39.55, 8 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 23-[4-(4-isocyanophenyl)quinazolin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-isocyanoquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-[4-(4-phenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene;23-(4-pyrido[2,3-b]indol-9-ylphenyl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene is sourced from PubChem (CID 159032701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).