3-[4-(3-benzo[c]carbazol-7-ylquinoxalin-2-yl)phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene

C166H95N15 — CID 162062043

About 3-[4-(3-benzo[c]carbazol-7-ylquinoxalin-2-yl)phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene

3-[4-(3-benzo[c]carbazol-7-ylquinoxalin-2-yl)phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene (PubChem CID 162062043) has the molecular formula C166H95N15 and a molecular weight of 2299.69 g/mol. Its IUPAC name is 3-[4-(3-benzo[c]carbazol-7-ylquinoxalin-2-yl)phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene.

Molecular Properties

• Compound Name: 3-[4-(3-benzo[c]carbazol-7-ylquinoxalin-2-yl)phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene
• PubChem CID: 162062043
• Molecular Formula: C166H95N15
• Molecular Weight: 2299.69 g/mol
• Exact Mass: 2297.79
• IUPAC Name: 3-[4-(3-benzo[c]carbazol-7-ylquinoxalin-2-yl)phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4nnc(-n5c6cc7ccccc7cc6c6cc7c8ccccc8n8c9ccccc9c(c65)c78)c5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nnc(-n5c6cc7ccccc7cc6c6cc7c8ccccc8n8c9ccccc9c(c65)c78)c5ccccc45)cc32)cc1.c1ccc2cc3c(cc2c1)c1cc2c4ccccc4n4c5ccccc5c(c1n3-c1ccc(-c3nc5ccccc5nc3-n3c5ccccc5c5c6ccccc6ccc53)cc1)c24
• InChI: InChI=1S/C58H33N5.2C54H31N5/c1-2-15-37-32-52-43(31-36(37)14-1)45-33-44-40-17-5-10-22-48(40)62-49-23-11-7-19-42(49)54(57(44)62)56(45)61(52)38-28-25-35(26-29-38)55-58(60-47-21-9-8-20-46(47)59-55)63-50-24-12-6-18-41(50)53-39-16-4-3-13-34(39)27-30-51(53)63;1-2-16-35(17-3-1)57-45-23-11-8-18-36(45)41-29-34(26-27-48(41)57)51-38-20-6-7-21-39(38)54(56-55-51)59-49-30-33-15-5-4-14-32(33)28-42(49)44-31-43-37-19-9-12-24-46(37)58-47-25-13-10-22-40(47)50(52(43)58)53(44)59;1-2-16-35(17-3-1)57-45-23-11-8-18-36(45)38-27-26-34(30-48(38)57)51-39-20-6-7-21-40(39)54(56-55-51)59-49-29-33-15-5-4-14-32(33)28-42(49)44-31-43-37-19-9-12-24-46(37)58-47-25-13-10-22-41(47)50(52(43)58)53(44)59/h1-33H;2*1-31H
• InChIKey: YZYXCUULZBNSAQ-UHFFFAOYSA-N
• XLogP: 42.54
• TPSA: 120.15 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2299.69
LogP ≤ 5	42.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-benzo[c]carbazol-7-ylquinoxalin-2-yl)phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene?

The IUPAC name of 3-[4-(3-benzo[c]carbazol-7-ylquinoxalin-2-yl)phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene (CID 162062043) is 3-[4-(3-benzo[c]carbazol-7-ylquinoxalin-2-yl)phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene.

What is the SMILES notation for 3-[4-(3-benzo[c]carbazol-7-ylquinoxalin-2-yl)phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene?

The canonical SMILES for 3-[4-(3-benzo[c]carbazol-7-ylquinoxalin-2-yl)phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene is c1ccc(-n2c3ccccc3c3cc(-c4nnc(-n5c6cc7ccccc7cc6c6cc7c8ccccc8n8c9ccccc9c(c65)c78)c5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nnc(-n5c6cc7ccccc7cc6c6cc7c8ccccc8n8c9ccccc9c(c65)c78)c5ccccc45)cc32)cc1.c1ccc2cc3c(cc2c1)c1cc2c4ccccc4n4c5ccccc5c(c1n3-c1ccc(-c3nc5ccccc5nc3-n3c5ccccc5c5c6ccccc6ccc53)cc1)c24.

What is the InChIKey of 3-[4-(3-benzo[c]carbazol-7-ylquinoxalin-2-yl)phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene?

The InChIKey is YZYXCUULZBNSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H33N5.2C54H31N5/c1-2-15-37-32-52-43(31-36(37)14-1)45-33-44-40-17-5-10-22-48(40)62-49-23-11-7-19-42(49)54(57(44)62)56(45)61(52)38-28-25-35(26-29-38)55-58(60-47-21-9-8-20-46(47)59-55)63-50-24-12-6-18-41(50)53-39-16-4-3-13-34(39)27-30-51(53)63;1-2-16-35(17-3-1)57-45-23-11-8-18-36(45)41-29-34(26-27-48(41)57)51-38-20-6-7-21-39(38)54(56-55-51)59-49-30-33-15-5-4-14-32(33)28-42(49)44-31-43-37-19-9-12-24-46(37)58-47-25-13-10-22-40(47)50(52(43)58)53(44)59;1-2-16-35(17-3-1)57-45-23-11-8-18-36(45)38-27-26-34(30-48(38)57)51-39-20-6-7-21-40(39)54(56-55-51)59-49-29-33-15-5-4-14-32(33)28-42(49)44-31-43-37-19-9-12-24-46(37)58-47-25-13-10-22-41(47)50(52(43)58)53(44)59/h1-33H;2*1-31H.

What are the key properties of 3-[4-(3-benzo[c]carbazol-7-ylquinoxalin-2-yl)phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene?

3-[4-(3-benzo[c]carbazol-7-ylquinoxalin-2-yl)phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene has a molecular weight of 2299.69 g/mol, XLogP of 42.54, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(3-benzo[c]carbazol-7-ylquinoxalin-2-yl)phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene;3-[4-(9-phenylcarbazol-3-yl)phthalazin-1-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene is sourced from PubChem (CID 162062043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).