3-(2-benzo[c]carbazol-7-ylquinolin-4-yl)-19-[3-[4-(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-tetradecaen-3-yl)quinazolin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene

C95H52N8 — CID 138752050

About 3-(2-benzo[c]carbazol-7-ylquinolin-4-yl)-19-[3-[4-(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-tetradecaen-3-yl)quinazolin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene

3-(2-benzo[c]carbazol-7-ylquinolin-4-yl)-19-[3-[4-(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-tetradecaen-3-yl)quinazolin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene (PubChem CID 138752050) has the molecular formula C95H52N8 and a molecular weight of 1305.52 g/mol. Its IUPAC name is 3-(2-benzo[c]carbazol-7-ylquinolin-4-yl)-19-[3-[4-(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-tetradecaen-3-yl)quinazolin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene.

Molecular Properties

• Compound Name: 3-(2-benzo[c]carbazol-7-ylquinolin-4-yl)-19-[3-[4-(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-tetradecaen-3-yl)quinazolin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene
• PubChem CID: 138752050
• Molecular Formula: C95H52N8
• Molecular Weight: 1305.52 g/mol
• Exact Mass: 1304.43
• IUPAC Name: 3-(2-benzo[c]carbazol-7-ylquinolin-4-yl)-19-[3-[4-(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-tetradecaen-3-yl)quinazolin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene
• SMILES: c1cc(-c2ccc3c(c2)c2cc4c5cc6ccccc6cc5n(-c5cc(-n6c7ccccc7c7c8ccccc8ccc76)nc6ccccc56)c4c4c5ccccc5n3c24)cc(-c2nc(-n3c4cc5ccccc5cc4c4cc5c6ccccc6n6c7ccccc7c(c43)c56)c3ccccc3n2)c1
• InChI: InChI=1S/C95H52N8/c1-3-23-57-48-83-69(45-55(57)21-1)73-51-72-68-47-59(41-42-81(68)101-80-39-18-11-32-66(80)88(91(72)101)92(73)102(83)85-52-86(96-75-34-13-7-29-63(75)85)99-78-37-16-10-31-65(78)87-61-27-6-5-20-53(61)40-43-82(87)99)54-25-19-26-60(44-54)94-97-76-35-14-8-30-64(76)95(98-94)103-84-49-58-24-4-2-22-56(58)46-70(84)74-50-71-62-28-9-15-36-77(62)100-79-38-17-12-33-67(79)89(90(71)100)93(74)103/h1-52H
• InChIKey: NJDDHPZUKSIESB-UHFFFAOYSA-N
• XLogP: 24.56
• TPSA: 62.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1305.52
LogP ≤ 5	24.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzo[c]carbazol-7-ylquinolin-4-yl)-19-[3-[4-(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-tetradecaen-3-yl)quinazolin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene?

The IUPAC name of 3-(2-benzo[c]carbazol-7-ylquinolin-4-yl)-19-[3-[4-(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-tetradecaen-3-yl)quinazolin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene (CID 138752050) is 3-(2-benzo[c]carbazol-7-ylquinolin-4-yl)-19-[3-[4-(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-tetradecaen-3-yl)quinazolin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene.

What is the SMILES notation for 3-(2-benzo[c]carbazol-7-ylquinolin-4-yl)-19-[3-[4-(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-tetradecaen-3-yl)quinazolin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene?

The canonical SMILES for 3-(2-benzo[c]carbazol-7-ylquinolin-4-yl)-19-[3-[4-(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-tetradecaen-3-yl)quinazolin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene is c1cc(-c2ccc3c(c2)c2cc4c5cc6ccccc6cc5n(-c5cc(-n6c7ccccc7c7c8ccccc8ccc76)nc6ccccc56)c4c4c5ccccc5n3c24)cc(-c2nc(-n3c4cc5ccccc5cc4c4cc5c6ccccc6n6c7ccccc7c(c43)c56)c3ccccc3n2)c1.

What is the InChIKey of 3-(2-benzo[c]carbazol-7-ylquinolin-4-yl)-19-[3-[4-(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-tetradecaen-3-yl)quinazolin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene?

The InChIKey is NJDDHPZUKSIESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H52N8/c1-3-23-57-48-83-69(45-55(57)21-1)73-51-72-68-47-59(41-42-81(68)101-80-39-18-11-32-66(80)88(91(72)101)92(73)102(83)85-52-86(96-75-34-13-7-29-63(75)85)99-78-37-16-10-31-65(78)87-61-27-6-5-20-53(61)40-43-82(87)99)54-25-19-26-60(44-54)94-97-76-35-14-8-30-64(76)95(98-94)103-84-49-58-24-4-2-22-56(58)46-70(84)74-50-71-62-28-9-15-36-77(62)100-79-38-17-12-33-67(79)89(90(71)100)93(74)103/h1-52H.

What are the key properties of 3-(2-benzo[c]carbazol-7-ylquinolin-4-yl)-19-[3-[4-(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-tetradecaen-3-yl)quinazolin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene?

3-(2-benzo[c]carbazol-7-ylquinolin-4-yl)-19-[3-[4-(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-tetradecaen-3-yl)quinazolin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene has a molecular weight of 1305.52 g/mol, XLogP of 24.56, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-benzo[c]carbazol-7-ylquinolin-4-yl)-19-[3-[4-(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-tetradecaen-3-yl)quinazolin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene is sourced from PubChem (CID 138752050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).