13-(2-carbazol-9-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-1-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-2-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene

C140H79N13 — CID 162208816

About 13-(2-carbazol-9-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-1-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-2-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene

13-(2-carbazol-9-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-1-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-2-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene (PubChem CID 162208816) has the molecular formula C140H79N13 and a molecular weight of 1943.26 g/mol. Its IUPAC name is 13-(2-carbazol-9-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-1-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-2-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene.

Molecular Properties

• Compound Name: 13-(2-carbazol-9-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-1-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-2-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene
• PubChem CID: 162208816
• Molecular Formula: C140H79N13
• Molecular Weight: 1943.26 g/mol
• Exact Mass: 1941.66
• IUPAC Name: 13-(2-carbazol-9-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-1-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-2-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene
• SMILES: c1ccc2cc(-c3nc(-n4c5cc6ccccc6cc5c5c6c7ccccc7n7c8ccccc8c(cc54)c67)c4ccccc4n3)ccc2c1.c1ccc2cc3c(cc2c1)c1c2c4ccccc4n4c5ccccc5c(cc1n3-c1nc(-c3cccc5ccccc35)nc3ccccc13)c24.c1ccc2cc3c(cc2c1)c1c2c4ccccc4n4c5ccccc5c(cc1n3-c1nc(-n3c5ccccc5c5ccccc53)nc3ccccc13)c24
• InChI: InChI=1S/C48H27N5.2C46H26N4/c1-2-14-29-26-42-36(25-28(29)13-1)44-43(27-35-32-17-6-9-21-38(32)51-41-24-12-7-19-34(41)45(44)46(35)51)52(42)47-33-18-3-8-20-37(33)49-48(50-47)53-39-22-10-4-15-30(39)31-16-5-11-23-40(31)53;1-2-14-29-25-40-36(24-28(29)13-1)42-41(26-35-31-17-6-9-22-38(31)49-39-23-10-7-19-34(39)43(42)44(35)49)50(40)46-33-18-5-8-21-37(33)47-45(48-46)32-20-11-15-27-12-3-4-16-30(27)32;1-2-12-28-23-31(22-21-27(28)11-1)45-47-37-18-8-5-16-33(37)46(48-45)50-40-25-30-14-4-3-13-29(30)24-36(40)42-41(50)26-35-32-15-6-9-19-38(32)49-39-20-10-7-17-34(39)43(42)44(35)49/h1-27H;2*1-26H
• InChIKey: ZSOFVZSFHSNBHU-UHFFFAOYSA-N
• XLogP: 35.83
• TPSA: 110.29 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1943.26
LogP ≤ 5	35.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 13-(2-carbazol-9-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-1-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-2-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene?

The IUPAC name of 13-(2-carbazol-9-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-1-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-2-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene (CID 162208816) is 13-(2-carbazol-9-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-1-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-2-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene.

What is the SMILES notation for 13-(2-carbazol-9-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-1-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-2-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene?

The canonical SMILES for 13-(2-carbazol-9-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-1-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-2-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene is c1ccc2cc(-c3nc(-n4c5cc6ccccc6cc5c5c6c7ccccc7n7c8ccccc8c(cc54)c67)c4ccccc4n3)ccc2c1.c1ccc2cc3c(cc2c1)c1c2c4ccccc4n4c5ccccc5c(cc1n3-c1nc(-c3cccc5ccccc35)nc3ccccc13)c24.c1ccc2cc3c(cc2c1)c1c2c4ccccc4n4c5ccccc5c(cc1n3-c1nc(-n3c5ccccc5c5ccccc53)nc3ccccc13)c24.

What is the InChIKey of 13-(2-carbazol-9-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-1-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-2-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene?

The InChIKey is ZSOFVZSFHSNBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27N5.2C46H26N4/c1-2-14-29-26-42-36(25-28(29)13-1)44-43(27-35-32-17-6-9-21-38(32)51-41-24-12-7-19-34(41)45(44)46(35)51)52(42)47-33-18-3-8-20-37(33)49-48(50-47)53-39-22-10-4-15-30(39)31-16-5-11-23-40(31)53;1-2-14-29-25-40-36(24-28(29)13-1)42-41(26-35-31-17-6-9-22-38(31)49-39-23-10-7-19-34(39)43(42)44(35)49)50(40)46-33-18-5-8-21-37(33)47-45(48-46)32-20-11-15-27-12-3-4-16-30(27)32;1-2-12-28-23-31(22-21-27(28)11-1)45-47-37-18-8-5-16-33(37)46(48-45)50-40-25-30-14-4-3-13-29(30)24-36(40)42-41(50)26-35-32-15-6-9-19-38(32)49-39-20-10-7-17-34(39)43(42)44(35)49/h1-27H;2*1-26H.

What are the key properties of 13-(2-carbazol-9-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-1-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-2-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene?

13-(2-carbazol-9-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-1-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-2-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene has a molecular weight of 1943.26 g/mol, XLogP of 35.83, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 13-(2-carbazol-9-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-1-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene;13-(2-naphthalen-2-ylquinazolin-4-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene is sourced from PubChem (CID 162208816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).