6-phenyl-15-[[4-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]methyl]-6-azaheptacyclo[15.12.0.02,14.05,13.07,12.018,27.019,24]nonacosa-1(17),2(14),3,5(13),7,9,11,18(27),19,21,23,28-dodecaene

C71H49N3 — CID 145347826

About 6-phenyl-15-[[4-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]methyl]-6-azaheptacyclo[15.12.0.02,14.05,13.07,12.018,27.019,24]nonacosa-1(17),2(14),3,5(13),7,9,11,18(27),19,21,23,28-dodecaene

6-phenyl-15-[[4-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]methyl]-6-azaheptacyclo[15.12.0.02,14.05,13.07,12.018,27.019,24]nonacosa-1(17),2(14),3,5(13),7,9,11,18(27),19,21,23,28-dodecaene (PubChem CID 145347826) has the molecular formula C71H49N3 and a molecular weight of 944.19 g/mol. Its IUPAC name is 6-phenyl-15-[[4-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]methyl]-6-azaheptacyclo[15.12.0.02,14.05,13.07,12.018,27.019,24]nonacosa-1(17),2(14),3,5(13),7,9,11,18(27),19,21,23,28-dodecaene.

Molecular Properties

• Compound Name: 6-phenyl-15-[[4-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]methyl]-6-azaheptacyclo[15.12.0.02,14.05,13.07,12.018,27.019,24]nonacosa-1(17),2(14),3,5(13),7,9,11,18(27),19,21,23,28-dodecaene
• PubChem CID: 145347826
• Molecular Formula: C71H49N3
• Molecular Weight: 944.19 g/mol
• Exact Mass: 943.39
• IUPAC Name: 6-phenyl-15-[[4-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]methyl]-6-azaheptacyclo[15.12.0.02,14.05,13.07,12.018,27.019,24]nonacosa-1(17),2(14),3,5(13),7,9,11,18(27),19,21,23,28-dodecaene
• SMILES: c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(-c3ccc(CC4Cc5c(ccc6c5-c5ccccc5CC6)-c5ccc6c(c54)c4ccccc4n6-c4ccccc4)cc3)cc2)cc1
• InChI: InChI=1S/C71H49N3/c1-3-16-51(17-4-1)72-65-26-14-11-23-59(65)71-66(72)40-39-58-55-38-35-49-32-31-48-15-7-8-20-54(48)69(49)62(55)42-50(70(58)71)41-45-27-29-46(30-28-45)47-33-36-53(37-34-47)74-64-25-13-10-22-57(64)61-43-67-60(44-68(61)74)56-21-9-12-24-63(56)73(67)52-18-5-2-6-19-52/h1-30,33-40,43-44,50H,31-32,41-42H2
• InChIKey: MJLXWFUUFPNFJA-UHFFFAOYSA-N
• XLogP: 17.96
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	944.19
LogP ≤ 5	17.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-15-[[4-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]methyl]-6-azaheptacyclo[15.12.0.02,14.05,13.07,12.018,27.019,24]nonacosa-1(17),2(14),3,5(13),7,9,11,18(27),19,21,23,28-dodecaene?

The IUPAC name of 6-phenyl-15-[[4-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]methyl]-6-azaheptacyclo[15.12.0.02,14.05,13.07,12.018,27.019,24]nonacosa-1(17),2(14),3,5(13),7,9,11,18(27),19,21,23,28-dodecaene (CID 145347826) is 6-phenyl-15-[[4-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]methyl]-6-azaheptacyclo[15.12.0.02,14.05,13.07,12.018,27.019,24]nonacosa-1(17),2(14),3,5(13),7,9,11,18(27),19,21,23,28-dodecaene.

What is the SMILES notation for 6-phenyl-15-[[4-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]methyl]-6-azaheptacyclo[15.12.0.02,14.05,13.07,12.018,27.019,24]nonacosa-1(17),2(14),3,5(13),7,9,11,18(27),19,21,23,28-dodecaene?

The canonical SMILES for 6-phenyl-15-[[4-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]methyl]-6-azaheptacyclo[15.12.0.02,14.05,13.07,12.018,27.019,24]nonacosa-1(17),2(14),3,5(13),7,9,11,18(27),19,21,23,28-dodecaene is c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(-c3ccc(CC4Cc5c(ccc6c5-c5ccccc5CC6)-c5ccc6c(c54)c4ccccc4n6-c4ccccc4)cc3)cc2)cc1.

What is the InChIKey of 6-phenyl-15-[[4-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]methyl]-6-azaheptacyclo[15.12.0.02,14.05,13.07,12.018,27.019,24]nonacosa-1(17),2(14),3,5(13),7,9,11,18(27),19,21,23,28-dodecaene?

The InChIKey is MJLXWFUUFPNFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H49N3/c1-3-16-51(17-4-1)72-65-26-14-11-23-59(65)71-66(72)40-39-58-55-38-35-49-32-31-48-15-7-8-20-54(48)69(49)62(55)42-50(70(58)71)41-45-27-29-46(30-28-45)47-33-36-53(37-34-47)74-64-25-13-10-22-57(64)61-43-67-60(44-68(61)74)56-21-9-12-24-63(56)73(67)52-18-5-2-6-19-52/h1-30,33-40,43-44,50H,31-32,41-42H2.

What are the key properties of 6-phenyl-15-[[4-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]methyl]-6-azaheptacyclo[15.12.0.02,14.05,13.07,12.018,27.019,24]nonacosa-1(17),2(14),3,5(13),7,9,11,18(27),19,21,23,28-dodecaene?

6-phenyl-15-[[4-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]methyl]-6-azaheptacyclo[15.12.0.02,14.05,13.07,12.018,27.019,24]nonacosa-1(17),2(14),3,5(13),7,9,11,18(27),19,21,23,28-dodecaene has a molecular weight of 944.19 g/mol, XLogP of 17.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-phenyl-15-[[4-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]methyl]-6-azaheptacyclo[15.12.0.02,14.05,13.07,12.018,27.019,24]nonacosa-1(17),2(14),3,5(13),7,9,11,18(27),19,21,23,28-dodecaene is sourced from PubChem (CID 145347826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).