4-(6,9-diphenylcarbazol-3-yl)-N,N-bis[4-[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]phenyl]aniline

C104H82N2O2 — CID 153452646

About 4-(6,9-diphenylcarbazol-3-yl)-N,N-bis[4-[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]phenyl]aniline

4-(6,9-diphenylcarbazol-3-yl)-N,N-bis[4-[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]phenyl]aniline (PubChem CID 153452646) has the molecular formula C104H82N2O2 and a molecular weight of 1391.81 g/mol. Its IUPAC name is 4-(6,9-diphenylcarbazol-3-yl)-N,N-bis[4-[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]phenyl]aniline.

Molecular Properties

• Compound Name: 4-(6,9-diphenylcarbazol-3-yl)-N,N-bis[4-[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]phenyl]aniline
• PubChem CID: 153452646
• Molecular Formula: C104H82N2O2
• Molecular Weight: 1391.81 g/mol
• Exact Mass: 1390.64
• IUPAC Name: 4-(6,9-diphenylcarbazol-3-yl)-N,N-bis[4-[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]phenyl]aniline
• SMILES: C=Cc1ccc(OCCCCC2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)C(CCCCOc6ccc(C=C)cc6)(c6ccccc6)c6ccccc6-7)cc5)c5ccc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)cc5)cc4)cc32)cc1
• InChI: InChI=1S/C104H82N2O2/c1-3-73-37-57-89(58-38-73)107-67-23-21-65-103(83-27-11-6-12-28-83)97-35-19-17-33-91(97)93-61-47-81(71-99(93)103)77-43-53-87(54-44-77)105(86-51-41-76(42-52-86)80-50-64-102-96(70-80)95-69-79(75-25-9-5-10-26-75)49-63-101(95)106(102)85-31-15-8-16-32-85)88-55-45-78(46-56-88)82-48-62-94-92-34-18-20-36-98(92)104(100(94)72-82,84-29-13-7-14-30-84)66-22-24-68-108-90-59-39-74(4-2)40-60-90/h3-20,25-64,69-72H,1-2,21-24,65-68H2
• InChIKey: GPAQCVMCWWPXJP-UHFFFAOYSA-N
• XLogP: 27.34
• TPSA: 26.63 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 24
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1391.81
LogP ≤ 5	27.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(6,9-diphenylcarbazol-3-yl)-N,N-bis[4-[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]phenyl]aniline?

The IUPAC name of 4-(6,9-diphenylcarbazol-3-yl)-N,N-bis[4-[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]phenyl]aniline (CID 153452646) is 4-(6,9-diphenylcarbazol-3-yl)-N,N-bis[4-[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]phenyl]aniline.

What is the SMILES notation for 4-(6,9-diphenylcarbazol-3-yl)-N,N-bis[4-[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]phenyl]aniline?

The canonical SMILES for 4-(6,9-diphenylcarbazol-3-yl)-N,N-bis[4-[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]phenyl]aniline is C=Cc1ccc(OCCCCC2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)C(CCCCOc6ccc(C=C)cc6)(c6ccccc6)c6ccccc6-7)cc5)c5ccc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)cc5)cc4)cc32)cc1.

What is the InChIKey of 4-(6,9-diphenylcarbazol-3-yl)-N,N-bis[4-[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]phenyl]aniline?

The InChIKey is GPAQCVMCWWPXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H82N2O2/c1-3-73-37-57-89(58-38-73)107-67-23-21-65-103(83-27-11-6-12-28-83)97-35-19-17-33-91(97)93-61-47-81(71-99(93)103)77-43-53-87(54-44-77)105(86-51-41-76(42-52-86)80-50-64-102-96(70-80)95-69-79(75-25-9-5-10-26-75)49-63-101(95)106(102)85-31-15-8-16-32-85)88-55-45-78(46-56-88)82-48-62-94-92-34-18-20-36-98(92)104(100(94)72-82,84-29-13-7-14-30-84)66-22-24-68-108-90-59-39-74(4-2)40-60-90/h3-20,25-64,69-72H,1-2,21-24,65-68H2.

What are the key properties of 4-(6,9-diphenylcarbazol-3-yl)-N,N-bis[4-[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]phenyl]aniline?

4-(6,9-diphenylcarbazol-3-yl)-N,N-bis[4-[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]phenyl]aniline has a molecular weight of 1391.81 g/mol, XLogP of 27.34, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6,9-diphenylcarbazol-3-yl)-N,N-bis[4-[9-[4-(4-ethenylphenoxy)butyl]-9-phenylfluoren-2-yl]phenyl]aniline is sourced from PubChem (CID 153452646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).