3-(9-phenylcarbazol-3-yl)-9-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-[4-[3-(2-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]carbazole

C92H58N6 — CID 134236962

About 3-(9-phenylcarbazol-3-yl)-9-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-[4-[3-(2-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]carbazole

3-(9-phenylcarbazol-3-yl)-9-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-[4-[3-(2-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]carbazole (PubChem CID 134236962) has the molecular formula C92H58N6 and a molecular weight of 1247.52 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-[4-[3-(2-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-(9-phenylcarbazol-3-yl)-9-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-[4-[3-(2-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]carbazole
• PubChem CID: 134236962
• Molecular Formula: C92H58N6
• Molecular Weight: 1247.52 g/mol
• Exact Mass: 1246.47
• IUPAC Name: 3-(9-phenylcarbazol-3-yl)-9-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-[4-[3-(2-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]carbazole
• SMILES: c1ccc(-c2ccccc2-c2cccc(-c3nc(-c4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)nc4ccccc34)c2)cc1
• InChI: InChI=1S/C92H58N6/c1-4-23-59(24-5-1)71-31-10-11-32-72(71)64-25-22-26-65(51-64)91-77-37-12-17-38-82(77)93-92(94-91)66-52-69(97-85-41-20-15-35-75(85)80-56-62(45-49-89(80)97)60-43-47-87-78(54-60)73-33-13-18-39-83(73)95(87)67-27-6-2-7-28-67)58-70(53-66)98-86-42-21-16-36-76(86)81-57-63(46-50-90(81)98)61-44-48-88-79(55-61)74-34-14-19-40-84(74)96(88)68-29-8-3-9-30-68/h1-58H
• InChIKey: DICRTBKTDRZDBB-UHFFFAOYSA-N
• XLogP: 24.02
• TPSA: 45.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1247.52
LogP ≤ 5	24.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-[4-[3-(2-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]carbazole?

The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-[4-[3-(2-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]carbazole (CID 134236962) is 3-(9-phenylcarbazol-3-yl)-9-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-[4-[3-(2-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]carbazole.

What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-[4-[3-(2-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]carbazole?

The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-[4-[3-(2-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]carbazole is c1ccc(-c2ccccc2-c2cccc(-c3nc(-c4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)nc4ccccc34)c2)cc1.

What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-[4-[3-(2-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]carbazole?

The InChIKey is DICRTBKTDRZDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H58N6/c1-4-23-59(24-5-1)71-31-10-11-32-72(71)64-25-22-26-65(51-64)91-77-37-12-17-38-82(77)93-92(94-91)66-52-69(97-85-41-20-15-35-75(85)80-56-62(45-49-89(80)97)60-43-47-87-78(54-60)73-33-13-18-39-83(73)95(87)67-27-6-2-7-28-67)58-70(53-66)98-86-42-21-16-36-76(86)81-57-63(46-50-90(81)98)61-44-48-88-79(55-61)74-34-14-19-40-84(74)96(88)68-29-8-3-9-30-68/h1-58H.

What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-[4-[3-(2-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]carbazole?

3-(9-phenylcarbazol-3-yl)-9-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-[4-[3-(2-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]carbazole has a molecular weight of 1247.52 g/mol, XLogP of 24.02, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9-phenylcarbazol-3-yl)-9-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-[4-[3-(2-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]carbazole is sourced from PubChem (CID 134236962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).