9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine

C65H52N2O4S — CID 58807664

IUPAC9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine
SMILESCOc1ccc(S(=O)(=O)c2ccc(Oc3ccc(CC4(Cc5ccc(C)cc5)c5cc(N(c6ccccc6)c6ccccc6)ccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc54)cc3)cc2)cc1
InChIInChI=1S/C65H52N2O4S/c1-47-23-25-48(26-24-47)45-65(46-49-27-31-57(32-28-49)71-58-35-39-60(40-36-58)72(68,69)59-37-33-56(70-2)34-38-59)63-43-54(66(50-15-7-3-8-16-50)51-17-9-4-10-18-51)29-41-61(63)62-42-30-55(44-64(62)65)67(52-19-11-5-12-20-52)53-21-13-6-14-22-53/h3-44H,45-46H2,1-2H3
InChIKeyHWMVTBFTOHXJOL-UHFFFAOYSA-N
MW957.21 g/mol
LogP16.32
Rot. Bonds15

About 9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine

9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine (PubChem CID 58807664) has the molecular formula C65H52N2O4S and a molecular weight of 957.21 g/mol. Its IUPAC name is 9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine.

Molecular Properties

Compound Name9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine
PubChem CID58807664
Molecular FormulaC65H52N2O4S
Molecular Weight957.21 g/mol
Exact Mass956.36
IUPAC Name9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine
SMILESCOc1ccc(S(=O)(=O)c2ccc(Oc3ccc(CC4(Cc5ccc(C)cc5)c5cc(N(c6ccccc6)c6ccccc6)ccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc54)cc3)cc2)cc1
InChIInChI=1S/C65H52N2O4S/c1-47-23-25-48(26-24-47)45-65(46-49-27-31-57(32-28-49)71-58-35-39-60(40-36-58)72(68,69)59-37-33-56(70-2)34-38-59)63-43-54(66(50-15-7-3-8-16-50)51-17-9-4-10-18-51)29-41-61(63)62-42-30-55(44-64(62)65)67(52-19-11-5-12-20-52)53-21-13-6-14-22-53/h3-44H,45-46H2,1-2H3
InChIKeyHWMVTBFTOHXJOL-UHFFFAOYSA-N
XLogP16.32
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.21
LogP ≤ 516.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(N-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline
CID 23397817
4-N-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide;4-O-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl] 1-O-methyl benzene-1,4-dicarboxylate;9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine
CID 157230486
2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrakis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 57337080
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158042386
2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 129292300
methanesulfonic acid;1-[4-[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 90873606
(4-methoxyphenyl)-methylidene-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]-oxo-λ6-sulfane
CID 144623140
[4-[4-(N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-methylphenyl)methanone;N-(4-methoxyphenyl)-4-[4-(N-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]anilino)phenyl]-N-phenylaniline;N-methyl-4-(4-methylphenyl)-N-phenylaniline;pentachloro-λ5-stibane;triphenylazanium;chloride
CID 158427813
4-[10-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]-N,N-diphenylaniline;10-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-N,N-diphenylanthracen-9-amine;9-(9,9-dimethylfluoren-2-yl)-10-[9,9-dimethyl-7-[10-[4-(4-methylphenyl)phenyl]anthracen-9-yl]fluoren-2-yl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-[4-(4-ethylphenyl)phenyl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(4-methoxyphenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene;7-[10-[9,9-dimethyl-7-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]fluoren-2-yl]anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 159893919
1-N,4-N-bis[4-(4-methoxy-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59738736
ethane;1-methoxy-4-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]benzene
CID 91541647
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;hydrate
CID 161136163

Frequently Asked Questions

What is the IUPAC name of 9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine?
The IUPAC name of 9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine (CID 58807664) is 9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine.
What is the SMILES notation for 9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine?
The canonical SMILES for 9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine is COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(CC4(Cc5ccc(C)cc5)c5cc(N(c6ccccc6)c6ccccc6)ccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc54)cc3)cc2)cc1.
What is the InChIKey of 9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine?
The InChIKey is HWMVTBFTOHXJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H52N2O4S/c1-47-23-25-48(26-24-47)45-65(46-49-27-31-57(32-28-49)71-58-35-39-60(40-36-58)72(68,69)59-37-33-56(70-2)34-38-59)63-43-54(66(50-15-7-3-8-16-50)51-17-9-4-10-18-51)29-41-61(63)62-42-30-55(44-64(62)65)67(52-19-11-5-12-20-52)53-21-13-6-14-22-53/h3-44H,45-46H2,1-2H3.
What are the key properties of 9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine?
9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine has a molecular weight of 957.21 g/mol, XLogP of 16.32, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine is sourced from PubChem (CID 58807664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).