2-N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;2-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;7-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-triphenylen-2-ylfluorene-2,7-diamine

C215H148N6S3 — CID 158885148

About 2-N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;2-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;7-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-triphenylen-2-ylfluorene-2,7-diamine

2-N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;2-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;7-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-triphenylen-2-ylfluorene-2,7-diamine (PubChem CID 158885148) has the molecular formula C215H148N6S3 and a molecular weight of 2911.79 g/mol. Its IUPAC name is 2-N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;2-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;7-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-triphenylen-2-ylfluorene-2,7-diamine.

Molecular Properties

• Compound Name: 2-N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;2-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;7-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-triphenylen-2-ylfluorene-2,7-diamine
• PubChem CID: 158885148
• Molecular Formula: C215H148N6S3
• Molecular Weight: 2911.79 g/mol
• Exact Mass: 2909.09
• IUPAC Name: 2-N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;2-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;7-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-triphenylen-2-ylfluorene-2,7-diamine
• SMILES: CC1(C)c2cc(N(c3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)c5ccccc45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21
• InChI: InChI=1S/2C73H50N2S.C69H48N2S/c1-73(2)69-45-52(74(48-18-5-3-6-19-48)49-20-7-4-8-21-49)37-40-63(69)64-41-38-53(46-70(64)73)75(51-36-39-62-59-26-12-11-24-57(59)58-25-13-14-27-60(58)68(62)44-51)50-34-32-47(33-35-50)54-42-43-61(56-23-10-9-22-55(54)56)66-29-17-30-67-65-28-15-16-31-71(65)76-72(66)67;1-73(2)68-45-54(39-42-63(68)64-43-40-55(46-69(64)73)75(51-18-4-3-5-19-51)70-28-14-17-49-16-6-7-20-56(49)70)74(53-38-41-62-60-23-9-8-21-58(60)59-22-10-11-24-61(59)67(62)44-53)52-36-34-48(35-37-52)47-30-32-50(33-31-47)57-26-15-27-66-65-25-12-13-29-71(65)76-72(57)66;1-69(2)65-43-52(70(48-16-5-3-6-17-48)49-18-7-4-8-19-49)37-40-60(65)61-41-38-53(44-66(61)69)71(51-36-39-59-57-22-10-9-20-55(57)56-21-11-12-23-58(56)64(59)42-51)50-34-32-46(33-35-50)45-28-30-47(31-29-45)54-25-15-26-63-62-24-13-14-27-67(62)72-68(54)63/h2*3-46H,1-2H3;3-44H,1-2H3
• InChIKey: JDNOGISYCSYPRE-UHFFFAOYSA-N
• XLogP: 62.59
• TPSA: 19.44 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 24
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2911.79
LogP ≤ 5	62.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;2-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;7-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-triphenylen-2-ylfluorene-2,7-diamine?

The IUPAC name of 2-N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;2-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;7-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-triphenylen-2-ylfluorene-2,7-diamine (CID 158885148) is 2-N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;2-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;7-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-triphenylen-2-ylfluorene-2,7-diamine.

What is the SMILES notation for 2-N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;2-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;7-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-triphenylen-2-ylfluorene-2,7-diamine?

The canonical SMILES for 2-N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;2-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;7-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-triphenylen-2-ylfluorene-2,7-diamine is CC1(C)c2cc(N(c3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)c5ccccc45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21.

What is the InChIKey of 2-N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;2-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;7-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-triphenylen-2-ylfluorene-2,7-diamine?

The InChIKey is JDNOGISYCSYPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C73H50N2S.C69H48N2S/c1-73(2)69-45-52(74(48-18-5-3-6-19-48)49-20-7-4-8-21-49)37-40-63(69)64-41-38-53(46-70(64)73)75(51-36-39-62-59-26-12-11-24-57(59)58-25-13-14-27-60(58)68(62)44-51)50-34-32-47(33-35-50)54-42-43-61(56-23-10-9-22-55(54)56)66-29-17-30-67-65-28-15-16-31-71(65)76-72(66)67;1-73(2)68-45-54(39-42-63(68)64-43-40-55(46-69(64)73)75(51-18-4-3-5-19-51)70-28-14-17-49-16-6-7-20-56(49)70)74(53-38-41-62-60-23-9-8-21-58(60)59-22-10-11-24-61(59)67(62)44-53)52-36-34-48(35-37-52)47-30-32-50(33-31-47)57-26-15-27-66-65-25-12-13-29-71(65)76-72(57)66;1-69(2)65-43-52(70(48-16-5-3-6-17-48)49-18-7-4-8-19-49)37-40-60(65)61-41-38-53(44-66(61)69)71(51-36-39-59-57-22-10-9-20-55(57)56-21-11-12-23-58(56)64(59)42-51)50-34-32-46(33-35-50)45-28-30-47(31-29-45)54-25-15-26-63-62-24-13-14-27-67(62)72-68(54)63/h2*3-46H,1-2H3;3-44H,1-2H3.

What are the key properties of 2-N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;2-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;7-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-triphenylen-2-ylfluorene-2,7-diamine?

2-N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;2-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;7-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-triphenylen-2-ylfluorene-2,7-diamine has a molecular weight of 2911.79 g/mol, XLogP of 62.59, 24 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;2-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;7-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-triphenylen-2-ylfluorene-2,7-diamine is sourced from PubChem (CID 158885148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).