9-ethyl-3-[4-[4-[10-[4-[4-(9-ethylcarbazol-3-yl)phenyl]phenyl]-2,6-bis(3-methylphenyl)-3,4-dihydroanthracen-9-yl]phenyl]phenyl]carbazole

C80H62N2 — CID 163991225

About 9-ethyl-3-[4-[4-[10-[4-[4-(9-ethylcarbazol-3-yl)phenyl]phenyl]-2,6-bis(3-methylphenyl)-3,4-dihydroanthracen-9-yl]phenyl]phenyl]carbazole

9-ethyl-3-[4-[4-[10-[4-[4-(9-ethylcarbazol-3-yl)phenyl]phenyl]-2,6-bis(3-methylphenyl)-3,4-dihydroanthracen-9-yl]phenyl]phenyl]carbazole (PubChem CID 163991225) has the molecular formula C80H62N2 and a molecular weight of 1051.39 g/mol. Its IUPAC name is 9-ethyl-3-[4-[4-[10-[4-[4-(9-ethylcarbazol-3-yl)phenyl]phenyl]-2,6-bis(3-methylphenyl)-3,4-dihydroanthracen-9-yl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-ethyl-3-[4-[4-[10-[4-[4-(9-ethylcarbazol-3-yl)phenyl]phenyl]-2,6-bis(3-methylphenyl)-3,4-dihydroanthracen-9-yl]phenyl]phenyl]carbazole
• PubChem CID: 163991225
• Molecular Formula: C80H62N2
• Molecular Weight: 1051.39 g/mol
• Exact Mass: 1050.49
• IUPAC Name: 9-ethyl-3-[4-[4-[10-[4-[4-(9-ethylcarbazol-3-yl)phenyl]phenyl]-2,6-bis(3-methylphenyl)-3,4-dihydroanthracen-9-yl]phenyl]phenyl]carbazole
• SMILES: CCn1c2ccccc2c2cc(-c3ccc(-c4ccc(-c5c6c(c(-c7ccc(-c8ccc(-c9ccc%10c(c9)c9ccccc9n%10CC)cc8)cc7)c7cc(-c8cccc(C)c8)ccc57)CCC(c5cccc(C)c5)=C6)cc4)cc3)ccc21
• InChI: InChI=1S/C80H62N2/c1-5-81-75-19-9-7-17-67(75)71-47-63(39-43-77(71)81)57-25-21-53(22-26-57)55-29-33-59(34-30-55)79-69-41-37-66(62-16-12-14-52(4)46-62)50-74(69)80(70-42-38-65(49-73(70)79)61-15-11-13-51(3)45-61)60-35-31-56(32-36-60)54-23-27-58(28-24-54)64-40-44-78-72(48-64)68-18-8-10-20-76(68)82(78)6-2/h7-37,39-41,43-50H,5-6,38,42H2,1-4H3
• InChIKey: UAUCHGTVLJBIOQ-UHFFFAOYSA-N
• XLogP: 21.87
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1051.39
LogP ≤ 5	21.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[4-[4-[10-[4-[4-(9-ethylcarbazol-3-yl)phenyl]phenyl]-2,6-bis(3-methylphenyl)-3,4-dihydroanthracen-9-yl]phenyl]phenyl]carbazole?

The IUPAC name of 9-ethyl-3-[4-[4-[10-[4-[4-(9-ethylcarbazol-3-yl)phenyl]phenyl]-2,6-bis(3-methylphenyl)-3,4-dihydroanthracen-9-yl]phenyl]phenyl]carbazole (CID 163991225) is 9-ethyl-3-[4-[4-[10-[4-[4-(9-ethylcarbazol-3-yl)phenyl]phenyl]-2,6-bis(3-methylphenyl)-3,4-dihydroanthracen-9-yl]phenyl]phenyl]carbazole.

What is the SMILES notation for 9-ethyl-3-[4-[4-[10-[4-[4-(9-ethylcarbazol-3-yl)phenyl]phenyl]-2,6-bis(3-methylphenyl)-3,4-dihydroanthracen-9-yl]phenyl]phenyl]carbazole?

The canonical SMILES for 9-ethyl-3-[4-[4-[10-[4-[4-(9-ethylcarbazol-3-yl)phenyl]phenyl]-2,6-bis(3-methylphenyl)-3,4-dihydroanthracen-9-yl]phenyl]phenyl]carbazole is CCn1c2ccccc2c2cc(-c3ccc(-c4ccc(-c5c6c(c(-c7ccc(-c8ccc(-c9ccc%10c(c9)c9ccccc9n%10CC)cc8)cc7)c7cc(-c8cccc(C)c8)ccc57)CCC(c5cccc(C)c5)=C6)cc4)cc3)ccc21.

What is the InChIKey of 9-ethyl-3-[4-[4-[10-[4-[4-(9-ethylcarbazol-3-yl)phenyl]phenyl]-2,6-bis(3-methylphenyl)-3,4-dihydroanthracen-9-yl]phenyl]phenyl]carbazole?

The InChIKey is UAUCHGTVLJBIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H62N2/c1-5-81-75-19-9-7-17-67(75)71-47-63(39-43-77(71)81)57-25-21-53(22-26-57)55-29-33-59(34-30-55)79-69-41-37-66(62-16-12-14-52(4)46-62)50-74(69)80(70-42-38-65(49-73(70)79)61-15-11-13-51(3)45-61)60-35-31-56(32-36-60)54-23-27-58(28-24-54)64-40-44-78-72(48-64)68-18-8-10-20-76(68)82(78)6-2/h7-37,39-41,43-50H,5-6,38,42H2,1-4H3.

What are the key properties of 9-ethyl-3-[4-[4-[10-[4-[4-(9-ethylcarbazol-3-yl)phenyl]phenyl]-2,6-bis(3-methylphenyl)-3,4-dihydroanthracen-9-yl]phenyl]phenyl]carbazole?

9-ethyl-3-[4-[4-[10-[4-[4-(9-ethylcarbazol-3-yl)phenyl]phenyl]-2,6-bis(3-methylphenyl)-3,4-dihydroanthracen-9-yl]phenyl]phenyl]carbazole has a molecular weight of 1051.39 g/mol, XLogP of 21.87, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-ethyl-3-[4-[4-[10-[4-[4-(9-ethylcarbazol-3-yl)phenyl]phenyl]-2,6-bis(3-methylphenyl)-3,4-dihydroanthracen-9-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 163991225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).