N-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]triphenylen-2-amine;7-dibenzothiophen-4-yl-9,9-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine

C156H106N4S2 — CID 159505056

About N-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]triphenylen-2-amine;7-dibenzothiophen-4-yl-9,9-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine

N-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]triphenylen-2-amine;7-dibenzothiophen-4-yl-9,9-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine (PubChem CID 159505056) has the molecular formula C156H106N4S2 and a molecular weight of 2100.73 g/mol. Its IUPAC name is N-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]triphenylen-2-amine;7-dibenzothiophen-4-yl-9,9-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]triphenylen-2-amine;7-dibenzothiophen-4-yl-9,9-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine
• PubChem CID: 159505056
• Molecular Formula: C156H106N4S2
• Molecular Weight: 2100.73 g/mol
• Exact Mass: 2098.79
• IUPAC Name: N-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]triphenylen-2-amine;7-dibenzothiophen-4-yl-9,9-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2cc(-c3cccc4c3sc3ccccc34)ccc2-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)c5ccccc45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21.CC1(C)c2cc(-c3cccc4c3sc3ccccc34)ccc2-c2ccc(N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)c4ccccc34)cc21
• InChI: InChI=1S/C83H56N2S.C73H50N2S/c1-83(2)77-51-57(64-30-17-31-75-74-29-14-15-33-81(74)86-82(64)75)39-46-71(77)72-47-44-61(52-78(72)83)85(60-40-34-53(35-41-60)56-38-45-70-68-26-9-8-24-66(68)67-25-10-11-27-69(67)76(70)50-56)80-49-48-62(65-23-12-13-28-73(65)80)55-36-42-59(43-37-55)84(58-20-4-3-5-21-58)79-32-16-19-54-18-6-7-22-63(54)79;1-73(2)68-44-48(55-29-17-30-66-65-28-15-16-31-71(65)76-72(55)66)34-39-62(68)63-41-38-53(46-69(63)73)74(52-37-40-61-59-25-10-9-23-57(59)58-24-11-12-26-60(58)67(61)45-52)51-35-32-47(33-36-51)54-42-43-70(64-27-14-13-22-56(54)64)75(49-18-5-3-6-19-49)50-20-7-4-8-21-50/h3-52H,1-2H3;3-46H,1-2H3
• InChIKey: LZWNKUNYDGMNJG-UHFFFAOYSA-N
• XLogP: 45.31
• TPSA: 12.96 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2100.73
LogP ≤ 5	45.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]triphenylen-2-amine;7-dibenzothiophen-4-yl-9,9-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine?

The IUPAC name of N-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]triphenylen-2-amine;7-dibenzothiophen-4-yl-9,9-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine (CID 159505056) is N-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]triphenylen-2-amine;7-dibenzothiophen-4-yl-9,9-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine.

What is the SMILES notation for N-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]triphenylen-2-amine;7-dibenzothiophen-4-yl-9,9-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine?

The canonical SMILES for N-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]triphenylen-2-amine;7-dibenzothiophen-4-yl-9,9-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine is CC1(C)c2cc(-c3cccc4c3sc3ccccc34)ccc2-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)c5ccccc45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21.CC1(C)c2cc(-c3cccc4c3sc3ccccc34)ccc2-c2ccc(N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)c4ccccc34)cc21.

What is the InChIKey of N-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]triphenylen-2-amine;7-dibenzothiophen-4-yl-9,9-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine?

The InChIKey is LZWNKUNYDGMNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H56N2S.C73H50N2S/c1-83(2)77-51-57(64-30-17-31-75-74-29-14-15-33-81(74)86-82(64)75)39-46-71(77)72-47-44-61(52-78(72)83)85(60-40-34-53(35-41-60)56-38-45-70-68-26-9-8-24-66(68)67-25-10-11-27-69(67)76(70)50-56)80-49-48-62(65-23-12-13-28-73(65)80)55-36-42-59(43-37-55)84(58-20-4-3-5-21-58)79-32-16-19-54-18-6-7-22-63(54)79;1-73(2)68-44-48(55-29-17-30-66-65-28-15-16-31-71(65)76-72(55)66)34-39-62(68)63-41-38-53(46-69(63)73)74(52-37-40-61-59-25-10-9-23-57(59)58-24-11-12-26-60(58)67(61)45-52)51-35-32-47(33-36-51)54-42-43-70(64-27-14-13-22-56(54)64)75(49-18-5-3-6-19-49)50-20-7-4-8-21-50/h3-52H,1-2H3;3-46H,1-2H3.

What are the key properties of N-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]triphenylen-2-amine;7-dibenzothiophen-4-yl-9,9-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine?

N-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]triphenylen-2-amine;7-dibenzothiophen-4-yl-9,9-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine has a molecular weight of 2100.73 g/mol, XLogP of 45.31, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]triphenylen-2-amine;7-dibenzothiophen-4-yl-9,9-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 159505056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).