2-cyclohexa-1,3-dien-1-yl-N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(2-phenylcarbazol-9-yl)phenyl]carbazol-2-yl]phenyl]-5-phenylaniline

C75H52N6 — CID 88947199

About 2-cyclohexa-1,3-dien-1-yl-N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(2-phenylcarbazol-9-yl)phenyl]carbazol-2-yl]phenyl]-5-phenylaniline

2-cyclohexa-1,3-dien-1-yl-N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(2-phenylcarbazol-9-yl)phenyl]carbazol-2-yl]phenyl]-5-phenylaniline (PubChem CID 88947199) has the molecular formula C75H52N6 and a molecular weight of 1037.28 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(2-phenylcarbazol-9-yl)phenyl]carbazol-2-yl]phenyl]-5-phenylaniline.

Molecular Properties

• Compound Name: 2-cyclohexa-1,3-dien-1-yl-N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(2-phenylcarbazol-9-yl)phenyl]carbazol-2-yl]phenyl]-5-phenylaniline
• PubChem CID: 88947199
• Molecular Formula: C75H52N6
• Molecular Weight: 1037.28 g/mol
• Exact Mass: 1036.43
• IUPAC Name: 2-cyclohexa-1,3-dien-1-yl-N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(2-phenylcarbazol-9-yl)phenyl]carbazol-2-yl]phenyl]-5-phenylaniline
• SMILES: C1=CCCC(c2ccc(-c3ccccc3)cc2Nc2ccc(-c3ccc4c5cc(-c6ccc(-n7c8ccccc8c8ccc(-c9ccccc9)cc87)cc6)ccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3)cc2)=C1
• InChI: InChI=1S/C75H52N6/c1-6-18-50(19-7-1)58-34-42-63(54-22-10-3-11-23-54)68(47-58)76-61-38-30-52(31-39-61)60-36-44-66-67-46-57(37-45-70(67)81(72(66)49-60)75-78-73(55-24-12-4-13-25-55)77-74(79-75)56-26-14-5-15-27-56)53-32-40-62(41-33-53)80-69-29-17-16-28-64(69)65-43-35-59(48-71(65)80)51-20-8-2-9-21-51/h1-10,12-22,24-49,76H,11,23H2
• InChIKey: IZOMTMDXWXCOLJ-UHFFFAOYSA-N
• XLogP: 19.54
• TPSA: 60.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1037.28
LogP ≤ 5	19.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(2-phenylcarbazol-9-yl)phenyl]carbazol-2-yl]phenyl]-5-phenylaniline?

The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(2-phenylcarbazol-9-yl)phenyl]carbazol-2-yl]phenyl]-5-phenylaniline (CID 88947199) is 2-cyclohexa-1,3-dien-1-yl-N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(2-phenylcarbazol-9-yl)phenyl]carbazol-2-yl]phenyl]-5-phenylaniline.

What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(2-phenylcarbazol-9-yl)phenyl]carbazol-2-yl]phenyl]-5-phenylaniline?

The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(2-phenylcarbazol-9-yl)phenyl]carbazol-2-yl]phenyl]-5-phenylaniline is C1=CCCC(c2ccc(-c3ccccc3)cc2Nc2ccc(-c3ccc4c5cc(-c6ccc(-n7c8ccccc8c8ccc(-c9ccccc9)cc87)cc6)ccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3)cc2)=C1.

What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(2-phenylcarbazol-9-yl)phenyl]carbazol-2-yl]phenyl]-5-phenylaniline?

The InChIKey is IZOMTMDXWXCOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H52N6/c1-6-18-50(19-7-1)58-34-42-63(54-22-10-3-11-23-54)68(47-58)76-61-38-30-52(31-39-61)60-36-44-66-67-46-57(37-45-70(67)81(72(66)49-60)75-78-73(55-24-12-4-13-25-55)77-74(79-75)56-26-14-5-15-27-56)53-32-40-62(41-33-53)80-69-29-17-16-28-64(69)65-43-35-59(48-71(65)80)51-20-8-2-9-21-51/h1-10,12-22,24-49,76H,11,23H2.

What are the key properties of 2-cyclohexa-1,3-dien-1-yl-N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(2-phenylcarbazol-9-yl)phenyl]carbazol-2-yl]phenyl]-5-phenylaniline?

2-cyclohexa-1,3-dien-1-yl-N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(2-phenylcarbazol-9-yl)phenyl]carbazol-2-yl]phenyl]-5-phenylaniline has a molecular weight of 1037.28 g/mol, XLogP of 19.54, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexa-1,3-dien-1-yl-N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(2-phenylcarbazol-9-yl)phenyl]carbazol-2-yl]phenyl]-5-phenylaniline is sourced from PubChem (CID 88947199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).