3-(4-carbazol-9-ylphthalazin-1-yl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene

C156H89N15 — CID 157291705

About 3-(4-carbazol-9-ylphthalazin-1-yl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene

3-(4-carbazol-9-ylphthalazin-1-yl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene (PubChem CID 157291705) has the molecular formula C156H89N15 and a molecular weight of 2173.53 g/mol. Its IUPAC name is 3-(4-carbazol-9-ylphthalazin-1-yl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene.

Molecular Properties

• Compound Name: 3-(4-carbazol-9-ylphthalazin-1-yl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene
• PubChem CID: 157291705
• Molecular Formula: C156H89N15
• Molecular Weight: 2173.53 g/mol
• Exact Mass: 2171.74
• IUPAC Name: 3-(4-carbazol-9-ylphthalazin-1-yl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4nnc(-n5c6ccc7ccccc7c6c6cc7c8ccccc8n8c9ccccc9c(c65)c78)c5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nnc(-n5c6ccc7ccccc7c6c6cc7c8ccccc8n8c9ccccc9c(c65)c78)c5ccccc45)cc32)cc1.c1ccc2c(c1)ccc1c2c2cc3c4ccccc4n4c5ccccc5c(c2n1-c1nnc(-n2c5ccccc5c5ccccc52)c2ccccc12)c34
• InChI: InChI=1S/2C54H31N5.C48H27N5/c1-2-15-34(16-3-1)57-44-23-11-8-18-36(44)41-30-33(27-28-47(41)57)51-38-20-6-7-21-39(38)54(56-55-51)59-48-29-26-32-14-4-5-17-35(32)49(48)43-31-42-37-19-9-12-24-45(37)58-46-25-13-10-22-40(46)50(52(42)58)53(43)59;1-2-15-34(16-3-1)57-44-23-11-8-18-36(44)38-28-26-33(30-48(38)57)51-39-20-6-7-21-40(39)54(56-55-51)59-47-29-27-32-14-4-5-17-35(32)49(47)43-31-42-37-19-9-12-24-45(37)58-46-25-13-10-22-41(46)50(52(42)58)53(43)59;1-2-14-29-28(13-1)25-26-42-43(29)37-27-36-32-17-7-9-21-38(32)51-41-24-12-8-20-35(41)44(45(36)51)46(37)53(42)48-34-19-4-3-18-33(34)47(49-50-48)52-39-22-10-5-15-30(39)31-16-6-11-23-40(31)52/h2*1-31H;1-27H
• InChIKey: BAWNSOYDDQGWRE-UHFFFAOYSA-N
• XLogP: 39.72
• TPSA: 120.15 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2173.53
LogP ≤ 5	39.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbazol-9-ylphthalazin-1-yl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene?

The IUPAC name of 3-(4-carbazol-9-ylphthalazin-1-yl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene (CID 157291705) is 3-(4-carbazol-9-ylphthalazin-1-yl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene.

What is the SMILES notation for 3-(4-carbazol-9-ylphthalazin-1-yl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene?

The canonical SMILES for 3-(4-carbazol-9-ylphthalazin-1-yl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene is c1ccc(-n2c3ccccc3c3cc(-c4nnc(-n5c6ccc7ccccc7c6c6cc7c8ccccc8n8c9ccccc9c(c65)c78)c5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nnc(-n5c6ccc7ccccc7c6c6cc7c8ccccc8n8c9ccccc9c(c65)c78)c5ccccc45)cc32)cc1.c1ccc2c(c1)ccc1c2c2cc3c4ccccc4n4c5ccccc5c(c2n1-c1nnc(-n2c5ccccc5c5ccccc52)c2ccccc12)c34.

What is the InChIKey of 3-(4-carbazol-9-ylphthalazin-1-yl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene?

The InChIKey is BAWNSOYDDQGWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H31N5.C48H27N5/c1-2-15-34(16-3-1)57-44-23-11-8-18-36(44)41-30-33(27-28-47(41)57)51-38-20-6-7-21-39(38)54(56-55-51)59-48-29-26-32-14-4-5-17-35(32)49(48)43-31-42-37-19-9-12-24-45(37)58-46-25-13-10-22-40(46)50(52(42)58)53(43)59;1-2-15-34(16-3-1)57-44-23-11-8-18-36(44)38-28-26-33(30-48(38)57)51-39-20-6-7-21-40(39)54(56-55-51)59-47-29-27-32-14-4-5-17-35(32)49(47)43-31-42-37-19-9-12-24-45(37)58-46-25-13-10-22-41(46)50(52(42)58)53(43)59;1-2-14-29-28(13-1)25-26-42-43(29)37-27-36-32-17-7-9-21-38(32)51-41-24-12-8-20-35(41)44(45(36)51)46(37)53(42)48-34-19-4-3-18-33(34)47(49-50-48)52-39-22-10-5-15-30(39)31-16-6-11-23-40(31)52/h2*1-31H;1-27H.

What are the key properties of 3-(4-carbazol-9-ylphthalazin-1-yl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene?

3-(4-carbazol-9-ylphthalazin-1-yl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene has a molecular weight of 2173.53 g/mol, XLogP of 39.72, 8 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-carbazol-9-ylphthalazin-1-yl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene is sourced from PubChem (CID 157291705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).