3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

C102H63N11 — CID 155138272

About 3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 155138272) has the molecular formula C102H63N11 and a molecular weight of 1442.70 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
• PubChem CID: 155138272
• Molecular Formula: C102H63N11
• Molecular Weight: 1442.70 g/mol
• Exact Mass: 1441.53
• IUPAC Name: 3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3-n3c4ccccc4c4ccccc43)n2)cc1
• InChI: InChI=1S/C102H63N11/c1-6-32-64(33-7-1)97-103-98(65-34-8-2-9-35-65)106-101(105-97)91-93(110-82-51-25-16-42-71(82)72-43-17-26-52-83(72)110)92(102-107-99(66-36-10-3-11-37-66)104-100(108-102)67-38-12-4-13-39-67)95(112-86-55-29-20-46-75(86)76-47-21-30-56-87(76)112)96(94(91)111-84-53-27-18-44-73(84)74-45-19-28-54-85(74)111)113-88-57-31-23-49-78(88)80-63-69(59-61-90(80)113)68-58-60-89-79(62-68)77-48-22-24-50-81(77)109(89)70-40-14-5-15-41-70/h1-63H
• InChIKey: JAHXWEVLRUJNCC-UHFFFAOYSA-N
• XLogP: 25.21
• TPSA: 101.99 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1442.70
LogP ≤ 5	25.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?

The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 155138272) is 3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?

The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3-n3c4ccccc4c4ccccc43)n2)cc1.

What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?

The InChIKey is JAHXWEVLRUJNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H63N11/c1-6-32-64(33-7-1)97-103-98(65-34-8-2-9-35-65)106-101(105-97)91-93(110-82-51-25-16-42-71(82)72-43-17-26-52-83(72)110)92(102-107-99(66-36-10-3-11-37-66)104-100(108-102)67-38-12-4-13-39-67)95(112-86-55-29-20-46-75(86)76-47-21-30-56-87(76)112)96(94(91)111-84-53-27-18-44-73(84)74-45-19-28-54-85(74)111)113-88-57-31-23-49-78(88)80-63-69(59-61-90(80)113)68-58-60-89-79(62-68)77-48-22-24-50-81(77)109(89)70-40-14-5-15-41-70/h1-63H.

What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?

3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 1442.70 g/mol, XLogP of 25.21, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 155138272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).