9-[4-[3-carbazol-9-yl-5-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C52H34N4 — CID 130393873

About 9-[4-[3-carbazol-9-yl-5-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

9-[4-[3-carbazol-9-yl-5-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 130393873) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 9-[4-[3-carbazol-9-yl-5-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

• Compound Name: 9-[4-[3-carbazol-9-yl-5-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• PubChem CID: 130393873
• Molecular Formula: C52H34N4
• Molecular Weight: 714.87 g/mol
• Exact Mass: 714.28
• IUPAC Name: 9-[4-[3-carbazol-9-yl-5-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• SMILES: c1ccc2c(c1)CC(c1cc(-c3ccc(-c4nc5ccccc5c5nc6ccccn6c45)cc3)cc(-n3c4ccccc4c4ccccc43)c1)c1ccccc1-2
• InChI: InChI=1S/C52H34N4/c1-2-14-39-35(13-1)32-45(41-16-4-3-15-40(39)41)37-29-36(30-38(31-37)56-47-21-9-6-17-42(47)43-18-7-10-22-48(43)56)33-24-26-34(27-25-33)50-52-51(44-19-5-8-20-46(44)53-50)54-49-23-11-12-28-55(49)52/h1-31,45H,32H2
• InChIKey: RTFJEYXHHBSDHM-UHFFFAOYSA-N
• XLogP: 12.82
• TPSA: 35.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.87
LogP ≤ 5	12.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-carbazol-9-yl-5-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The IUPAC name of 9-[4-[3-carbazol-9-yl-5-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 130393873) is 9-[4-[3-carbazol-9-yl-5-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

What is the SMILES notation for 9-[4-[3-carbazol-9-yl-5-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The canonical SMILES for 9-[4-[3-carbazol-9-yl-5-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is c1ccc2c(c1)CC(c1cc(-c3ccc(-c4nc5ccccc5c5nc6ccccn6c45)cc3)cc(-n3c4ccccc4c4ccccc43)c1)c1ccccc1-2.

What is the InChIKey of 9-[4-[3-carbazol-9-yl-5-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The InChIKey is RTFJEYXHHBSDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-2-14-39-35(13-1)32-45(41-16-4-3-15-40(39)41)37-29-36(30-38(31-37)56-47-21-9-6-17-42(47)43-18-7-10-22-48(43)56)33-24-26-34(27-25-33)50-52-51(44-19-5-8-20-46(44)53-50)54-49-23-11-12-28-55(49)52/h1-31,45H,32H2.

What are the key properties of 9-[4-[3-carbazol-9-yl-5-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

9-[4-[3-carbazol-9-yl-5-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 714.87 g/mol, XLogP of 12.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[3-carbazol-9-yl-5-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 130393873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).