7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine

C76H68N2S — CID 59245923

IUPAC7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine
SMILESCc1cccc(N(c2cccc(C)c2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc5c(c4)-c4cc(/C=C/c6ccc7c(c6)C(C)(C)c6cc(N(c8cccc(C)c8)c8cccc(C)c8)ccc6-7)ccc4S5(C)C)ccc2-3)c1
InChIInChI=1S/C76H68N2S/c1-49-15-11-19-57(39-49)77(58-20-12-16-50(2)40-58)61-31-35-65-63-33-27-55(45-69(63)75(5,6)71(65)47-61)25-23-53-29-37-73-67(43-53)68-44-54(30-38-74(68)79(73,9)10)24-26-56-28-34-64-66-36-32-62(48-72(66)76(7,8)70(64)46-56)78(59-21-13-17-51(3)41-59)60-22-14-18-52(4)42-60/h11-48H,1-10H3/b25-23+,26-24+
InChIKeyQZHVEMGZKBEEOK-OGGGYYITSA-N
MW1041.46 g/mol
LogP21.28
Rot. Bonds10

About 7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine

7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine (PubChem CID 59245923) has the molecular formula C76H68N2S and a molecular weight of 1041.46 g/mol. Its IUPAC name is 7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine
PubChem CID59245923
Molecular FormulaC76H68N2S
Molecular Weight1041.46 g/mol
Exact Mass1040.51
IUPAC Name7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine
SMILESCc1cccc(N(c2cccc(C)c2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc5c(c4)-c4cc(/C=C/c6ccc7c(c6)C(C)(C)c6cc(N(c8cccc(C)c8)c8cccc(C)c8)ccc6-7)ccc4S5(C)C)ccc2-3)c1
InChIInChI=1S/C76H68N2S/c1-49-15-11-19-57(39-49)77(58-20-12-16-50(2)40-58)61-31-35-65-63-33-27-55(45-69(63)75(5,6)71(65)47-61)25-23-53-29-37-73-67(43-53)68-44-54(30-38-74(68)79(73,9)10)24-26-56-28-34-64-66-36-32-62(48-72(66)76(7,8)70(64)46-56)78(59-21-13-17-51(3)41-59)60-22-14-18-52(4)42-60/h11-48H,1-10H3/b25-23+,26-24+
InChIKeyQZHVEMGZKBEEOK-OGGGYYITSA-N
XLogP21.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001041.46
LogP ≤ 521.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine with MolForge

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Related Compounds

7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 59246350
7-[2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 90878487
7-[(E)-2-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine
CID 89074664
7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-naphthalen-2-ylfluoren-2-amine
CID 59246107
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 90693832
N-(3,5-dimethylphenyl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 91484997
7-[(E)-2-[4-[(E)-2-[7-(4-tert-butyl-N-(3-methylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-N-(4-tert-butylphenyl)-9,9-dimethyl-N-(3-methylphenyl)fluoren-2-amine
CID 59245944
7-[(E)-2-[9,9-dimethyl-7-(N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074728
7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9-phenylcarbazol-3-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine
CID 59246344
7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 91310997
N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-amine
CID 59246175
N-[9,9-dimethyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-yl]-N-(3-methylphenyl)fluoranthen-3-amine
CID 89067725

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine?
The IUPAC name of 7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine (CID 59245923) is 7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine.
What is the SMILES notation for 7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine?
The canonical SMILES for 7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine is Cc1cccc(N(c2cccc(C)c2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc5c(c4)-c4cc(/C=C/c6ccc7c(c6)C(C)(C)c6cc(N(c8cccc(C)c8)c8cccc(C)c8)ccc6-7)ccc4S5(C)C)ccc2-3)c1.
What is the InChIKey of 7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine?
The InChIKey is QZHVEMGZKBEEOK-OGGGYYITSA-N. The full InChI is InChI=1S/C76H68N2S/c1-49-15-11-19-57(39-49)77(58-20-12-16-50(2)40-58)61-31-35-65-63-33-27-55(45-69(63)75(5,6)71(65)47-61)25-23-53-29-37-73-67(43-53)68-44-54(30-38-74(68)79(73,9)10)24-26-56-28-34-64-66-36-32-62(48-72(66)76(7,8)70(64)46-56)78(59-21-13-17-51(3)41-59)60-22-14-18-52(4)42-60/h11-48H,1-10H3/b25-23+,26-24+.
What are the key properties of 7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine?
7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine has a molecular weight of 1041.46 g/mol, XLogP of 21.28, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-2-[8-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-5,5-dimethyldibenzothiophen-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine is sourced from PubChem (CID 59245923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).