10-[9-[3-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]triphenylen-1-yl]phenyl]phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

C90H54N4 — CID 170367398

About 10-[9-[3-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]triphenylen-1-yl]phenyl]phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

10-[9-[3-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]triphenylen-1-yl]phenyl]phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (PubChem CID 170367398) has the molecular formula C90H54N4 and a molecular weight of 1191.45 g/mol. Its IUPAC name is 10-[9-[3-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]triphenylen-1-yl]phenyl]phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

Molecular Properties

• Compound Name: 10-[9-[3-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]triphenylen-1-yl]phenyl]phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
• PubChem CID: 170367398
• Molecular Formula: C90H54N4
• Molecular Weight: 1191.45 g/mol
• Exact Mass: 1190.43
• IUPAC Name: 10-[9-[3-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]triphenylen-1-yl]phenyl]phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4c4c(-c6cccc(-c7cccc(-n8c9ccccc9c9cc(-c%10cc%11c%12ccccc%12n%12c%13ccccc%13c(c%10)c%11%12)ccc98)c7)c6)cccc54)ccc32)cc1
• InChI: InChI=1S/C90H54N4/c1-2-22-62(23-3-1)91-81-34-11-6-26-68(81)76-49-57(39-44-86(76)91)58-40-45-88-77(50-58)69-27-8-13-36-83(69)93(88)64-42-43-67-74-33-18-32-65(89(74)73-31-5-4-25-66(73)75(67)54-64)60-21-16-19-55(47-60)56-20-17-24-63(48-56)92-82-35-12-7-28-70(82)78-51-59(41-46-87(78)92)61-52-79-71-29-9-14-37-84(71)94-85-38-15-10-30-72(85)80(53-61)90(79)94/h1-54H
• InChIKey: MFJKTZUUBWUMLN-UHFFFAOYSA-N
• XLogP: 24.26
• TPSA: 19.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1191.45
LogP ≤ 5	24.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-[9-[3-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]triphenylen-1-yl]phenyl]phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The IUPAC name of 10-[9-[3-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]triphenylen-1-yl]phenyl]phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (CID 170367398) is 10-[9-[3-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]triphenylen-1-yl]phenyl]phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

What is the SMILES notation for 10-[9-[3-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]triphenylen-1-yl]phenyl]phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The canonical SMILES for 10-[9-[3-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]triphenylen-1-yl]phenyl]phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4c4c(-c6cccc(-c7cccc(-n8c9ccccc9c9cc(-c%10cc%11c%12ccccc%12n%12c%13ccccc%13c(c%10)c%11%12)ccc98)c7)c6)cccc54)ccc32)cc1.

What is the InChIKey of 10-[9-[3-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]triphenylen-1-yl]phenyl]phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The InChIKey is MFJKTZUUBWUMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H54N4/c1-2-22-62(23-3-1)91-81-34-11-6-26-68(81)76-49-57(39-44-86(76)91)58-40-45-88-77(50-58)69-27-8-13-36-83(69)93(88)64-42-43-67-74-33-18-32-65(89(74)73-31-5-4-25-66(73)75(67)54-64)60-21-16-19-55(47-60)56-20-17-24-63(48-56)92-82-35-12-7-28-70(82)78-51-59(41-46-87(78)92)61-52-79-71-29-9-14-37-84(71)94-85-38-15-10-30-72(85)80(53-61)90(79)94/h1-54H.

What are the key properties of 10-[9-[3-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]triphenylen-1-yl]phenyl]phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

10-[9-[3-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]triphenylen-1-yl]phenyl]phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene has a molecular weight of 1191.45 g/mol, XLogP of 24.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[9-[3-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]triphenylen-1-yl]phenyl]phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 170367398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).