7-N-dibenzothiophen-2-yl-9-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-2-N-naphthalen-1-yl-7-N,9-N-diphenyl-2-N-(4-phenylphenyl)indeno[2,1-h]fluorene-2,7,9-triamine

C85H65N3S — CID 155095534

IUPAC7-N-dibenzothiophen-2-yl-9-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-2-N-naphthalen-1-yl-7-N,9-N-diphenyl-2-N-(4-phenylphenyl)indeno[2,1-h]fluorene-2,7,9-triamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc4c(c(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3cc(N(c4ccc(-c6ccccc6)cc4)c4cccc6ccccc46)ccc3-5)cc21
InChIInChI=1S/C85H65N3S/c1-83(2)73-34-20-18-32-65(73)66-44-41-61(49-74(66)83)86(57-27-12-8-13-28-57)63-48-72-70-53-76-69(52-77(70)85(5,6)82(72)79(51-63)88(58-29-14-9-15-30-58)60-43-46-81-71(47-60)68-33-19-21-36-80(68)89-81)67-45-42-62(50-75(67)84(76,3)4)87(78-35-22-26-56-25-16-17-31-64(56)78)59-39-37-55(38-40-59)54-23-10-7-11-24-54/h7-53H,1-6H3
InChIKeyYWCAKACFVNHDKU-UHFFFAOYSA-N
MW1160.54 g/mol
LogP24.20
Rot. Bonds10

About 7-N-dibenzothiophen-2-yl-9-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-2-N-naphthalen-1-yl-7-N,9-N-diphenyl-2-N-(4-phenylphenyl)indeno[2,1-h]fluorene-2,7,9-triamine

7-N-dibenzothiophen-2-yl-9-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-2-N-naphthalen-1-yl-7-N,9-N-diphenyl-2-N-(4-phenylphenyl)indeno[2,1-h]fluorene-2,7,9-triamine (PubChem CID 155095534) has the molecular formula C85H65N3S and a molecular weight of 1160.54 g/mol. Its IUPAC name is 7-N-dibenzothiophen-2-yl-9-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-2-N-naphthalen-1-yl-7-N,9-N-diphenyl-2-N-(4-phenylphenyl)indeno[2,1-h]fluorene-2,7,9-triamine.

Molecular Properties

Compound Name7-N-dibenzothiophen-2-yl-9-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-2-N-naphthalen-1-yl-7-N,9-N-diphenyl-2-N-(4-phenylphenyl)indeno[2,1-h]fluorene-2,7,9-triamine
PubChem CID155095534
Molecular FormulaC85H65N3S
Molecular Weight1160.54 g/mol
Exact Mass1159.49
IUPAC Name7-N-dibenzothiophen-2-yl-9-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-2-N-naphthalen-1-yl-7-N,9-N-diphenyl-2-N-(4-phenylphenyl)indeno[2,1-h]fluorene-2,7,9-triamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc4c(c(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3cc(N(c4ccc(-c6ccccc6)cc4)c4cccc6ccccc46)ccc3-5)cc21
InChIInChI=1S/C85H65N3S/c1-83(2)73-34-20-18-32-65(73)66-44-41-61(49-74(66)83)86(57-27-12-8-13-28-57)63-48-72-70-53-76-69(52-77(70)85(5,6)82(72)79(51-63)88(58-29-14-9-15-30-58)60-43-46-81-71(47-60)68-33-19-21-36-80(68)89-81)67-45-42-62(50-75(67)84(76,3)4)87(78-35-22-26-56-25-16-17-31-64(56)78)59-39-37-55(38-40-59)54-23-10-7-11-24-54/h7-53H,1-6H3
InChIKeyYWCAKACFVNHDKU-UHFFFAOYSA-N
XLogP24.20
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001160.54
LogP ≤ 524.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-N-dibenzothiophen-2-yl-9-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-2-N-naphthalen-1-yl-7-N,9-N-diphenyl-2-N-(4-phenylphenyl)indeno[2,1-h]fluorene-2,7,9-triamine with MolForge

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Related Compounds

7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-3-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 158900066
N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine
CID 67964547
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N,3-diphenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 157140091
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)dibenzothiophen-2-amine
CID 118405888
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158464219
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214
8-N-(9,9-dimethylfluoren-2-yl)-2-N-phenyl-2-N-(3-phenylphenyl)-8-N-[3-(N-(3-phenylphenyl)anilino)phenyl]dibenzothiophene-2,8-diamine
CID 131979856
N-[4-[4-(N-(3,5-diphenylphenyl)-4-phenylanilino)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 59861267
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160975238
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156522863

Frequently Asked Questions

What is the IUPAC name of 7-N-dibenzothiophen-2-yl-9-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-2-N-naphthalen-1-yl-7-N,9-N-diphenyl-2-N-(4-phenylphenyl)indeno[2,1-h]fluorene-2,7,9-triamine?
The IUPAC name of 7-N-dibenzothiophen-2-yl-9-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-2-N-naphthalen-1-yl-7-N,9-N-diphenyl-2-N-(4-phenylphenyl)indeno[2,1-h]fluorene-2,7,9-triamine (CID 155095534) is 7-N-dibenzothiophen-2-yl-9-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-2-N-naphthalen-1-yl-7-N,9-N-diphenyl-2-N-(4-phenylphenyl)indeno[2,1-h]fluorene-2,7,9-triamine.
What is the SMILES notation for 7-N-dibenzothiophen-2-yl-9-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-2-N-naphthalen-1-yl-7-N,9-N-diphenyl-2-N-(4-phenylphenyl)indeno[2,1-h]fluorene-2,7,9-triamine?
The canonical SMILES for 7-N-dibenzothiophen-2-yl-9-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-2-N-naphthalen-1-yl-7-N,9-N-diphenyl-2-N-(4-phenylphenyl)indeno[2,1-h]fluorene-2,7,9-triamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc4c(c(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3cc(N(c4ccc(-c6ccccc6)cc4)c4cccc6ccccc46)ccc3-5)cc21.
What is the InChIKey of 7-N-dibenzothiophen-2-yl-9-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-2-N-naphthalen-1-yl-7-N,9-N-diphenyl-2-N-(4-phenylphenyl)indeno[2,1-h]fluorene-2,7,9-triamine?
The InChIKey is YWCAKACFVNHDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H65N3S/c1-83(2)73-34-20-18-32-65(73)66-44-41-61(49-74(66)83)86(57-27-12-8-13-28-57)63-48-72-70-53-76-69(52-77(70)85(5,6)82(72)79(51-63)88(58-29-14-9-15-30-58)60-43-46-81-71(47-60)68-33-19-21-36-80(68)89-81)67-45-42-62(50-75(67)84(76,3)4)87(78-35-22-26-56-25-16-17-31-64(56)78)59-39-37-55(38-40-59)54-23-10-7-11-24-54/h7-53H,1-6H3.
What are the key properties of 7-N-dibenzothiophen-2-yl-9-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-2-N-naphthalen-1-yl-7-N,9-N-diphenyl-2-N-(4-phenylphenyl)indeno[2,1-h]fluorene-2,7,9-triamine?
7-N-dibenzothiophen-2-yl-9-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-2-N-naphthalen-1-yl-7-N,9-N-diphenyl-2-N-(4-phenylphenyl)indeno[2,1-h]fluorene-2,7,9-triamine has a molecular weight of 1160.54 g/mol, XLogP of 24.20, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-dibenzothiophen-2-yl-9-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-2-N-naphthalen-1-yl-7-N,9-N-diphenyl-2-N-(4-phenylphenyl)indeno[2,1-h]fluorene-2,7,9-triamine is sourced from PubChem (CID 155095534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).