N-[4-(4-tert-butylphenyl)phenyl]-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)phenyl]-6-fluoro-N-(4-phenylphenyl)pyridin-3-amine

C128H87FN6S — CID 158009361

About N-[4-(4-tert-butylphenyl)phenyl]-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)phenyl]-6-fluoro-N-(4-phenylphenyl)pyridin-3-amine

N-[4-(4-tert-butylphenyl)phenyl]-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)phenyl]-6-fluoro-N-(4-phenylphenyl)pyridin-3-amine (PubChem CID 158009361) has the molecular formula C128H87FN6S and a molecular weight of 1760.21 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)phenyl]-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)phenyl]-6-fluoro-N-(4-phenylphenyl)pyridin-3-amine.

Molecular Properties

• Compound Name: N-[4-(4-tert-butylphenyl)phenyl]-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)phenyl]-6-fluoro-N-(4-phenylphenyl)pyridin-3-amine
• PubChem CID: 158009361
• Molecular Formula: C128H87FN6S
• Molecular Weight: 1760.21 g/mol
• Exact Mass: 1758.67
• IUPAC Name: N-[4-(4-tert-butylphenyl)phenyl]-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)phenyl]-6-fluoro-N-(4-phenylphenyl)pyridin-3-amine
• SMILES: CC(C)(C)c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.Fc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3ccc4sc5ccccc5c4c3)cc2)cn1
• InChI: InChI=1S/C77H55N3.C51H32FN3S/c1-76(2,3)54-39-32-50(33-40-54)51-34-41-56(42-35-51)78(73-31-17-28-69-75(73)64-24-9-14-27-68(64)77(69)66-25-12-7-20-59(66)60-21-8-13-26-67(60)77)57-43-36-52(37-44-57)53-38-47-72-65(48-53)62-23-11-16-30-71(62)80(72)58-45-46-63-61-22-10-15-29-70(61)79(74(63)49-58)55-18-5-4-6-19-55;52-51-27-24-42(32-53-51)54(39-19-14-34(15-20-39)33-8-2-1-3-9-33)40-21-16-35(17-22-40)38-18-25-47-44(29-38)45-28-36-10-4-5-11-37(36)30-48(45)55(47)41-23-26-50-46(31-41)43-12-6-7-13-49(43)56-50/h4-49H,1-3H3;1-32H
• InChIKey: FERQAXGHCXMZAC-UHFFFAOYSA-N
• XLogP: 34.97
• TPSA: 34.16 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1760.21
LogP ≤ 5	34.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)phenyl]-6-fluoro-N-(4-phenylphenyl)pyridin-3-amine?

The IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)phenyl]-6-fluoro-N-(4-phenylphenyl)pyridin-3-amine (CID 158009361) is N-[4-(4-tert-butylphenyl)phenyl]-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)phenyl]-6-fluoro-N-(4-phenylphenyl)pyridin-3-amine.

What is the SMILES notation for N-[4-(4-tert-butylphenyl)phenyl]-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)phenyl]-6-fluoro-N-(4-phenylphenyl)pyridin-3-amine?

The canonical SMILES for N-[4-(4-tert-butylphenyl)phenyl]-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)phenyl]-6-fluoro-N-(4-phenylphenyl)pyridin-3-amine is CC(C)(C)c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.Fc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3ccc4sc5ccccc5c4c3)cc2)cn1.

What is the InChIKey of N-[4-(4-tert-butylphenyl)phenyl]-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)phenyl]-6-fluoro-N-(4-phenylphenyl)pyridin-3-amine?

The InChIKey is FERQAXGHCXMZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H55N3.C51H32FN3S/c1-76(2,3)54-39-32-50(33-40-54)51-34-41-56(42-35-51)78(73-31-17-28-69-75(73)64-24-9-14-27-68(64)77(69)66-25-12-7-20-59(66)60-21-8-13-26-67(60)77)57-43-36-52(37-44-57)53-38-47-72-65(48-53)62-23-11-16-30-71(62)80(72)58-45-46-63-61-22-10-15-29-70(61)79(74(63)49-58)55-18-5-4-6-19-55;52-51-27-24-42(32-53-51)54(39-19-14-34(15-20-39)33-8-2-1-3-9-33)40-21-16-35(17-22-40)38-18-25-47-44(29-38)45-28-36-10-4-5-11-37(36)30-48(45)55(47)41-23-26-50-46(31-41)43-12-6-7-13-49(43)56-50/h4-49H,1-3H3;1-32H.

What are the key properties of N-[4-(4-tert-butylphenyl)phenyl]-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)phenyl]-6-fluoro-N-(4-phenylphenyl)pyridin-3-amine?

N-[4-(4-tert-butylphenyl)phenyl]-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)phenyl]-6-fluoro-N-(4-phenylphenyl)pyridin-3-amine has a molecular weight of 1760.21 g/mol, XLogP of 34.97, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-tert-butylphenyl)phenyl]-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)phenyl]-6-fluoro-N-(4-phenylphenyl)pyridin-3-amine is sourced from PubChem (CID 158009361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).