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

C170H117FN8S — CID 160689919

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

N-[4-(4-tert-butylphenyl)phenyl]-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-2-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-3-yl)phenyl]-6-fluoro-N-(4-phenylphenyl)pyridin-3-amine;9-phenyl-N,N-bis(4-phenylphenyl)carbazol-3-amine (PubChem CID 160689919) has the molecular formula C170H117FN8S and a molecular weight of 2322.93 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)phenyl]-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-2-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-3-yl)phenyl]-6-fluoro-N-(4-phenylphenyl)pyridin-3-amine;9-phenyl-N,N-bis(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

• Compound Name: N-[4-(4-tert-butylphenyl)phenyl]-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-2-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-3-yl)phenyl]-6-fluoro-N-(4-phenylphenyl)pyridin-3-amine;9-phenyl-N,N-bis(4-phenylphenyl)carbazol-3-amine
• PubChem CID: 160689919
• Molecular Formula: C170H117FN8S
• Molecular Weight: 2322.93 g/mol
• Exact Mass: 2320.91
• IUPAC Name: N-[4-(4-tert-butylphenyl)phenyl]-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-2-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-3-yl)phenyl]-6-fluoro-N-(4-phenylphenyl)pyridin-3-amine;9-phenyl-N,N-bis(4-phenylphenyl)carbazol-3-amine
• SMILES: CC(C)(C)c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5c4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.Fc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c5cc6ccccc6cc5n(-c5ccc6sc7ccccc7c6c5)c4c3)cc2)cn1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
• InChI: InChI=1S/C77H55N3.C51H32FN3S.C42H30N2/c1-76(2,3)54-39-32-50(33-40-54)51-34-41-56(42-35-51)78(72-31-17-28-69-75(72)65-24-9-14-27-68(65)77(69)66-25-12-7-20-59(66)60-21-8-13-26-67(60)77)57-43-36-52(37-44-57)53-38-46-63-61-22-11-16-30-71(61)80(73(63)48-53)58-45-47-64-62-23-10-15-29-70(62)79(74(64)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)38-18-25-43-45-28-36-10-4-5-11-37(36)29-48(45)55(47(43)30-38)41-23-26-50-46(31-41)44-12-6-7-13-49(44)56-50;1-4-12-31(13-5-1)33-20-24-36(25-21-33)43(37-26-22-34(23-27-37)32-14-6-2-7-15-32)38-28-29-42-40(30-38)39-18-10-11-19-41(39)44(42)35-16-8-3-9-17-35/h4-49H,1-3H3;1-32H;1-30H
• InChIKey: RPGRETUVEBLFEN-UHFFFAOYSA-N
• XLogP: 46.56
• TPSA: 42.33 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 19
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2322.93
LogP ≤ 5	46.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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

The IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-2-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-3-yl)phenyl]-6-fluoro-N-(4-phenylphenyl)pyridin-3-amine;9-phenyl-N,N-bis(4-phenylphenyl)carbazol-3-amine (CID 160689919) is N-[4-(4-tert-butylphenyl)phenyl]-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-2-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-3-yl)phenyl]-6-fluoro-N-(4-phenylphenyl)pyridin-3-amine;9-phenyl-N,N-bis(4-phenylphenyl)carbazol-3-amine.

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

The canonical SMILES for N-[4-(4-tert-butylphenyl)phenyl]-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-2-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-3-yl)phenyl]-6-fluoro-N-(4-phenylphenyl)pyridin-3-amine;9-phenyl-N,N-bis(4-phenylphenyl)carbazol-3-amine is CC(C)(C)c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5c4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.Fc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c5cc6ccccc6cc5n(-c5ccc6sc7ccccc7c6c5)c4c3)cc2)cn1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.

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

The InChIKey is RPGRETUVEBLFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H55N3.C51H32FN3S.C42H30N2/c1-76(2,3)54-39-32-50(33-40-54)51-34-41-56(42-35-51)78(72-31-17-28-69-75(72)65-24-9-14-27-68(65)77(69)66-25-12-7-20-59(66)60-21-8-13-26-67(60)77)57-43-36-52(37-44-57)53-38-46-63-61-22-11-16-30-71(61)80(73(63)48-53)58-45-47-64-62-23-10-15-29-70(62)79(74(64)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)38-18-25-43-45-28-36-10-4-5-11-37(36)29-48(45)55(47(43)30-38)41-23-26-50-46(31-41)44-12-6-7-13-49(44)56-50;1-4-12-31(13-5-1)33-20-24-36(25-21-33)43(37-26-22-34(23-27-37)32-14-6-2-7-15-32)38-28-29-42-40(30-38)39-18-10-11-19-41(39)44(42)35-16-8-3-9-17-35/h4-49H,1-3H3;1-32H;1-30H.

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

N-[4-(4-tert-butylphenyl)phenyl]-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-2-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-3-yl)phenyl]-6-fluoro-N-(4-phenylphenyl)pyridin-3-amine;9-phenyl-N,N-bis(4-phenylphenyl)carbazol-3-amine has a molecular weight of 2322.93 g/mol, XLogP of 46.56, 19 rotatable bonds, 0 hydrogen bond donors, and 9 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-2-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-3-yl)phenyl]-6-fluoro-N-(4-phenylphenyl)pyridin-3-amine;9-phenyl-N,N-bis(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 160689919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).