3'-[3-[7-[N-(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-4-(4-phenylphenyl)anilino]triphenylen-2-yl]carbazol-9-yl]-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

C140H86N4 — CID 138730974

About 3'-[3-[7-[N-(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-4-(4-phenylphenyl)anilino]triphenylen-2-yl]carbazol-9-yl]-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

3'-[3-[7-[N-(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-4-(4-phenylphenyl)anilino]triphenylen-2-yl]carbazol-9-yl]-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 138730974) has the molecular formula C140H86N4 and a molecular weight of 1824.26 g/mol. Its IUPAC name is 3'-[3-[7-[N-(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-4-(4-phenylphenyl)anilino]triphenylen-2-yl]carbazol-9-yl]-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

• Compound Name: 3'-[3-[7-[N-(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-4-(4-phenylphenyl)anilino]triphenylen-2-yl]carbazol-9-yl]-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• PubChem CID: 138730974
• Molecular Formula: C140H86N4
• Molecular Weight: 1824.26 g/mol
• Exact Mass: 1822.69
• IUPAC Name: 3'-[3-[7-[N-(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-4-(4-phenylphenyl)anilino]triphenylen-2-yl]carbazol-9-yl]-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccc5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7cc8c(cc7N(c7ccc9c%10ccccc%10c%10ccccc%10c9c7)c7ccccc7-c7ccccc7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)cc6c6ccccc6c5c4)c4cc5c(cc4-n4c6ccccc6c6ccccc64)-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc2)cc1
• InChI: InChI=1S/C140H86N4/c1-3-33-87(34-4-1)88-63-65-89(66-64-88)90-67-71-94(72-68-90)141(137-85-128-119(83-135(137)143-131-60-30-20-50-113(131)114-51-21-31-61-132(114)143)111-48-17-27-57-126(111)139(128)122-53-23-13-44-107(122)108-45-14-24-54-123(108)139)95-73-76-106-104-75-69-92(79-116(104)102-42-11-12-43-103(102)117(106)81-95)93-70-78-134-121(80-93)115-52-22-32-62-133(115)144(134)136-84-120-112-49-18-28-58-127(112)140(124-55-25-15-46-109(124)110-47-16-26-56-125(110)140)129(120)86-138(136)142(130-59-29-19-37-97(130)91-35-5-2-6-36-91)96-74-77-105-100-40-8-7-38-98(100)99-39-9-10-41-101(99)118(105)82-96/h1-86H
• InChIKey: QBVVEAFCDPWDMI-UHFFFAOYSA-N
• XLogP: 37.09
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1824.26
LogP ≤ 5	37.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3'-[3-[7-[N-(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-4-(4-phenylphenyl)anilino]triphenylen-2-yl]carbazol-9-yl]-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The IUPAC name of 3'-[3-[7-[N-(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-4-(4-phenylphenyl)anilino]triphenylen-2-yl]carbazol-9-yl]-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (CID 138730974) is 3'-[3-[7-[N-(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-4-(4-phenylphenyl)anilino]triphenylen-2-yl]carbazol-9-yl]-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

What is the SMILES notation for 3'-[3-[7-[N-(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-4-(4-phenylphenyl)anilino]triphenylen-2-yl]carbazol-9-yl]-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The canonical SMILES for 3'-[3-[7-[N-(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-4-(4-phenylphenyl)anilino]triphenylen-2-yl]carbazol-9-yl]-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7cc8c(cc7N(c7ccc9c%10ccccc%10c%10ccccc%10c9c7)c7ccccc7-c7ccccc7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)cc6c6ccccc6c5c4)c4cc5c(cc4-n4c6ccccc6c6ccccc64)-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc2)cc1.

What is the InChIKey of 3'-[3-[7-[N-(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-4-(4-phenylphenyl)anilino]triphenylen-2-yl]carbazol-9-yl]-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The InChIKey is QBVVEAFCDPWDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C140H86N4/c1-3-33-87(34-4-1)88-63-65-89(66-64-88)90-67-71-94(72-68-90)141(137-85-128-119(83-135(137)143-131-60-30-20-50-113(131)114-51-21-31-61-132(114)143)111-48-17-27-57-126(111)139(128)122-53-23-13-44-107(122)108-45-14-24-54-123(108)139)95-73-76-106-104-75-69-92(79-116(104)102-42-11-12-43-103(102)117(106)81-95)93-70-78-134-121(80-93)115-52-22-32-62-133(115)144(134)136-84-120-112-49-18-28-58-127(112)140(124-55-25-15-46-109(124)110-47-16-26-56-125(110)140)129(120)86-138(136)142(130-59-29-19-37-97(130)91-35-5-2-6-36-91)96-74-77-105-100-40-8-7-38-98(100)99-39-9-10-41-101(99)118(105)82-96/h1-86H.

What are the key properties of 3'-[3-[7-[N-(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-4-(4-phenylphenyl)anilino]triphenylen-2-yl]carbazol-9-yl]-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

3'-[3-[7-[N-(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-4-(4-phenylphenyl)anilino]triphenylen-2-yl]carbazol-9-yl]-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 1824.26 g/mol, XLogP of 37.09, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-[3-[7-[N-(3'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-4-(4-phenylphenyl)anilino]triphenylen-2-yl]carbazol-9-yl]-N-(2-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 138730974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).