9-[4-[3-carbazol-9-yl-5-[1-[4-(3,6,14,15,16,17-hexakis-phenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl)phenyl]triazol-4-yl]phenyl]phenyl]carbazole

C104H65N5 — CID 154009502

About 9-[4-[3-carbazol-9-yl-5-[1-[4-(3,6,14,15,16,17-hexakis-phenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl)phenyl]triazol-4-yl]phenyl]phenyl]carbazole

9-[4-[3-carbazol-9-yl-5-[1-[4-(3,6,14,15,16,17-hexakis-phenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl)phenyl]triazol-4-yl]phenyl]phenyl]carbazole (PubChem CID 154009502) has the molecular formula C104H65N5 and a molecular weight of 1384.70 g/mol. Its IUPAC name is 9-[4-[3-carbazol-9-yl-5-[1-[4-(3,6,14,15,16,17-hexakis-phenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl)phenyl]triazol-4-yl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[3-carbazol-9-yl-5-[1-[4-(3,6,14,15,16,17-hexakis-phenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl)phenyl]triazol-4-yl]phenyl]phenyl]carbazole
• PubChem CID: 154009502
• Molecular Formula: C104H65N5
• Molecular Weight: 1384.70 g/mol
• Exact Mass: 1383.52
• IUPAC Name: 9-[4-[3-carbazol-9-yl-5-[1-[4-(3,6,14,15,16,17-hexakis-phenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl)phenyl]triazol-4-yl]phenyl]phenyl]carbazole
• SMILES: c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c4cccc5c6c(-c7ccccc7)c(-c7ccc(-n8cc(-c9cc(-c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10)cc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)nn8)cc7)cc(-c7ccccc7)c6c6cccc(c3c2-c2ccccc2)c6c54)cc1
• InChI: InChI=1S/C104H65N5/c1-7-29-67(30-8-1)88-64-87(68-55-57-76(58-56-68)107-65-89(105-106-107)75-61-74(62-78(63-75)109-92-51-25-21-43-81(92)82-44-22-26-52-93(82)109)66-53-59-77(60-54-66)108-90-49-23-19-41-79(90)80-42-20-24-50-91(80)108)94(69-31-9-2-10-32-69)102-84-46-28-48-86-100(84)99-83(101(88)102)45-27-47-85(99)103-97(72-37-15-5-16-38-72)95(70-33-11-3-12-34-70)96(71-35-13-4-14-36-71)98(104(86)103)73-39-17-6-18-40-73/h1-65H
• InChIKey: YNULDTSJVBEMLZ-UHFFFAOYSA-N
• XLogP: 27.67
• TPSA: 40.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1384.70
LogP ≤ 5	27.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-carbazol-9-yl-5-[1-[4-(3,6,14,15,16,17-hexakis-phenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl)phenyl]triazol-4-yl]phenyl]phenyl]carbazole?

The IUPAC name of 9-[4-[3-carbazol-9-yl-5-[1-[4-(3,6,14,15,16,17-hexakis-phenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl)phenyl]triazol-4-yl]phenyl]phenyl]carbazole (CID 154009502) is 9-[4-[3-carbazol-9-yl-5-[1-[4-(3,6,14,15,16,17-hexakis-phenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl)phenyl]triazol-4-yl]phenyl]phenyl]carbazole.

What is the SMILES notation for 9-[4-[3-carbazol-9-yl-5-[1-[4-(3,6,14,15,16,17-hexakis-phenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl)phenyl]triazol-4-yl]phenyl]phenyl]carbazole?

The canonical SMILES for 9-[4-[3-carbazol-9-yl-5-[1-[4-(3,6,14,15,16,17-hexakis-phenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl)phenyl]triazol-4-yl]phenyl]phenyl]carbazole is c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c4cccc5c6c(-c7ccccc7)c(-c7ccc(-n8cc(-c9cc(-c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10)cc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)nn8)cc7)cc(-c7ccccc7)c6c6cccc(c3c2-c2ccccc2)c6c54)cc1.

What is the InChIKey of 9-[4-[3-carbazol-9-yl-5-[1-[4-(3,6,14,15,16,17-hexakis-phenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl)phenyl]triazol-4-yl]phenyl]phenyl]carbazole?

The InChIKey is YNULDTSJVBEMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H65N5/c1-7-29-67(30-8-1)88-64-87(68-55-57-76(58-56-68)107-65-89(105-106-107)75-61-74(62-78(63-75)109-92-51-25-21-43-81(92)82-44-22-26-52-93(82)109)66-53-59-77(60-54-66)108-90-49-23-19-41-79(90)80-42-20-24-50-91(80)108)94(69-31-9-2-10-32-69)102-84-46-28-48-86-100(84)99-83(101(88)102)45-27-47-85(99)103-97(72-37-15-5-16-38-72)95(70-33-11-3-12-34-70)96(71-35-13-4-14-36-71)98(104(86)103)73-39-17-6-18-40-73/h1-65H.

What are the key properties of 9-[4-[3-carbazol-9-yl-5-[1-[4-(3,6,14,15,16,17-hexakis-phenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl)phenyl]triazol-4-yl]phenyl]phenyl]carbazole?

9-[4-[3-carbazol-9-yl-5-[1-[4-(3,6,14,15,16,17-hexakis-phenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl)phenyl]triazol-4-yl]phenyl]phenyl]carbazole has a molecular weight of 1384.70 g/mol, XLogP of 27.67, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[3-carbazol-9-yl-5-[1-[4-(3,6,14,15,16,17-hexakis-phenyl-4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaenyl)phenyl]triazol-4-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 154009502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).