13-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(4-phenylphenyl)phthalazin-1-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene

C168H98N14 — CID 159098703

About 13-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(4-phenylphenyl)phthalazin-1-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene

13-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(4-phenylphenyl)phthalazin-1-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene (PubChem CID 159098703) has the molecular formula C168H98N14 and a molecular weight of 2312.73 g/mol. Its IUPAC name is 13-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(4-phenylphenyl)phthalazin-1-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene.

Molecular Properties

• Compound Name: 13-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(4-phenylphenyl)phthalazin-1-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene
• PubChem CID: 159098703
• Molecular Formula: C168H98N14
• Molecular Weight: 2312.73 g/mol
• Exact Mass: 2310.81
• IUPAC Name: 13-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(4-phenylphenyl)phthalazin-1-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene
• SMILES: c1ccc(-c2ccc(-c3nnc(-n4c5cc6c7ccccc7n7c8ccccc8c(c5c5ccc8ccccc8c54)c67)c4ccccc34)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc5ccccc5nc4-c4ccc(-n5c6cc7c8ccccc8n8c9ccccc9c(c6c6ccc9ccccc9c65)c78)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc5ccccc5nc4-c4ccc(-n5c6cc7c8ccccc8n8c9ccccc9c(c6c6ccc9ccccc9c65)c78)cc4)cc32)cc1
• InChI: InChI=1S/2C60H35N5.C48H28N4/c1-2-15-39(16-3-1)63-50-23-11-6-18-42(50)44-32-29-38(34-53(44)63)58-57(61-48-21-9-10-22-49(48)62-58)37-26-30-40(31-27-37)64-54-35-47-43-19-7-12-24-51(43)65-52-25-13-8-20-45(52)56(60(47)65)55(54)46-33-28-36-14-4-5-17-41(36)59(46)64;1-2-15-39(16-3-1)63-50-23-11-6-18-42(50)46-34-38(29-33-53(46)63)58-57(61-48-21-9-10-22-49(48)62-58)37-26-30-40(31-27-37)64-54-35-47-43-19-7-12-24-51(43)65-52-25-13-8-20-44(52)56(60(47)65)55(54)45-32-28-36-14-4-5-17-41(36)59(45)64;1-2-12-29(13-3-1)30-22-24-32(25-23-30)45-35-17-6-7-18-36(35)48(50-49-45)52-42-28-39-34-16-8-10-20-40(34)51-41-21-11-9-19-37(41)44(47(39)51)43(42)38-27-26-31-14-4-5-15-33(31)46(38)52/h2*1-35H;1-28H
• InChIKey: KCZOSJBKIXSIKR-UHFFFAOYSA-N
• XLogP: 43.29
• TPSA: 115.22 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2312.73
LogP ≤ 5	43.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 13-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(4-phenylphenyl)phthalazin-1-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene?

The IUPAC name of 13-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(4-phenylphenyl)phthalazin-1-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene (CID 159098703) is 13-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(4-phenylphenyl)phthalazin-1-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene.

What is the SMILES notation for 13-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(4-phenylphenyl)phthalazin-1-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene?

The canonical SMILES for 13-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(4-phenylphenyl)phthalazin-1-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene is c1ccc(-c2ccc(-c3nnc(-n4c5cc6c7ccccc7n7c8ccccc8c(c5c5ccc8ccccc8c54)c67)c4ccccc34)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc5ccccc5nc4-c4ccc(-n5c6cc7c8ccccc8n8c9ccccc9c(c6c6ccc9ccccc9c65)c78)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc5ccccc5nc4-c4ccc(-n5c6cc7c8ccccc8n8c9ccccc9c(c6c6ccc9ccccc9c65)c78)cc4)cc32)cc1.

What is the InChIKey of 13-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(4-phenylphenyl)phthalazin-1-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene?

The InChIKey is KCZOSJBKIXSIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H35N5.C48H28N4/c1-2-15-39(16-3-1)63-50-23-11-6-18-42(50)44-32-29-38(34-53(44)63)58-57(61-48-21-9-10-22-49(48)62-58)37-26-30-40(31-27-37)64-54-35-47-43-19-7-12-24-51(43)65-52-25-13-8-20-45(52)56(60(47)65)55(54)46-33-28-36-14-4-5-17-41(36)59(46)64;1-2-15-39(16-3-1)63-50-23-11-6-18-42(50)46-34-38(29-33-53(46)63)58-57(61-48-21-9-10-22-49(48)62-58)37-26-30-40(31-27-37)64-54-35-47-43-19-7-12-24-51(43)65-52-25-13-8-20-44(52)56(60(47)65)55(54)45-32-28-36-14-4-5-17-41(36)59(45)64;1-2-12-29(13-3-1)30-22-24-32(25-23-30)45-35-17-6-7-18-36(35)48(50-49-45)52-42-28-39-34-16-8-10-20-40(34)51-41-21-11-9-19-37(41)44(47(39)51)43(42)38-27-26-31-14-4-5-15-33(31)46(38)52/h2*1-35H;1-28H.

What are the key properties of 13-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(4-phenylphenyl)phthalazin-1-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene?

13-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(4-phenylphenyl)phthalazin-1-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene has a molecular weight of 2312.73 g/mol, XLogP of 43.29, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 13-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]phenyl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene;13-[4-(4-phenylphenyl)phthalazin-1-yl]-13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaene is sourced from PubChem (CID 159098703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).