2-N,2-N,7-N,7-N-tetrakis[4-(3,4-dimethoxy-5-methylthiophen-2-yl)phenyl]-9,9-diphenylfluorene-2,7-diamine

C77H68N2O8S4 — CID 90058084

IUPAC2-N,2-N,7-N,7-N-tetrakis[4-(3,4-dimethoxy-5-methylthiophen-2-yl)phenyl]-9,9-diphenylfluorene-2,7-diamine
SMILESCOc1c(C)sc(-c2ccc(N(c3ccc(-c4sc(C)c(OC)c4OC)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(N(c5ccc(-c6sc(C)c(OC)c6OC)cc5)c5ccc(-c6sc(C)c(OC)c6OC)cc5)ccc3-4)cc2)c1OC
InChIInChI=1S/C77H68N2O8S4/c1-45-65(80-5)69(84-9)73(88-45)49-23-31-55(32-24-49)78(56-33-25-50(26-34-56)74-70(85-10)66(81-6)46(2)89-74)59-39-41-61-62-42-40-60(44-64(62)77(63(61)43-59,53-19-15-13-16-20-53)54-21-17-14-18-22-54)79(57-35-27-51(28-36-57)75-71(86-11)67(82-7)47(3)90-75)58-37-29-52(30-38-58)76-72(87-12)68(83-8)48(4)91-76/h13-44H,1-12H3
InChIKeyMXWSKHBTMDDWHT-UHFFFAOYSA-N
MW1277.66 g/mol
LogP21.21
Rot. Bonds20

About 2-N,2-N,7-N,7-N-tetrakis[4-(3,4-dimethoxy-5-methylthiophen-2-yl)phenyl]-9,9-diphenylfluorene-2,7-diamine

2-N,2-N,7-N,7-N-tetrakis[4-(3,4-dimethoxy-5-methylthiophen-2-yl)phenyl]-9,9-diphenylfluorene-2,7-diamine (PubChem CID 90058084) has the molecular formula C77H68N2O8S4 and a molecular weight of 1277.66 g/mol. Its IUPAC name is 2-N,2-N,7-N,7-N-tetrakis[4-(3,4-dimethoxy-5-methylthiophen-2-yl)phenyl]-9,9-diphenylfluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,2-N,7-N,7-N-tetrakis[4-(3,4-dimethoxy-5-methylthiophen-2-yl)phenyl]-9,9-diphenylfluorene-2,7-diamine
PubChem CID90058084
Molecular FormulaC77H68N2O8S4
Molecular Weight1277.66 g/mol
Exact Mass1276.39
IUPAC Name2-N,2-N,7-N,7-N-tetrakis[4-(3,4-dimethoxy-5-methylthiophen-2-yl)phenyl]-9,9-diphenylfluorene-2,7-diamine
SMILESCOc1c(C)sc(-c2ccc(N(c3ccc(-c4sc(C)c(OC)c4OC)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(N(c5ccc(-c6sc(C)c(OC)c6OC)cc5)c5ccc(-c6sc(C)c(OC)c6OC)cc5)ccc3-4)cc2)c1OC
InChIInChI=1S/C77H68N2O8S4/c1-45-65(80-5)69(84-9)73(88-45)49-23-31-55(32-24-49)78(56-33-25-50(26-34-56)74-70(85-10)66(81-6)46(2)89-74)59-39-41-61-62-42-40-60(44-64(62)77(63(61)43-59,53-19-15-13-16-20-53)54-21-17-14-18-22-54)79(57-35-27-51(28-36-57)75-71(86-11)67(82-7)47(3)90-75)58-37-29-52(30-38-58)76-72(87-12)68(83-8)48(4)91-76/h13-44H,1-12H3
InChIKeyMXWSKHBTMDDWHT-UHFFFAOYSA-N
XLogP21.21
TPSA80.32 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001277.66
LogP ≤ 521.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Related Compounds

2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine
CID 101429725
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
2-N',2-N',7-N',7-N'-tetrakis[4-(3,4,5-trimethylthiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 90057821
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
6,7-dimethyl-N,N,9,9-tetraphenylfluoren-2-amine
CID 170091409
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
2-N,2-N,7-N,7-N-tetrakis[4-(3,4-diethoxy-5-methylthiophen-2-yl)phenyl]-9,9-dimethylfluorene-2,7-diamine
CID 90057816
9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine
CID 90277842
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 122470062

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,7-N,7-N-tetrakis[4-(3,4-dimethoxy-5-methylthiophen-2-yl)phenyl]-9,9-diphenylfluorene-2,7-diamine?
The IUPAC name of 2-N,2-N,7-N,7-N-tetrakis[4-(3,4-dimethoxy-5-methylthiophen-2-yl)phenyl]-9,9-diphenylfluorene-2,7-diamine (CID 90058084) is 2-N,2-N,7-N,7-N-tetrakis[4-(3,4-dimethoxy-5-methylthiophen-2-yl)phenyl]-9,9-diphenylfluorene-2,7-diamine.
What is the SMILES notation for 2-N,2-N,7-N,7-N-tetrakis[4-(3,4-dimethoxy-5-methylthiophen-2-yl)phenyl]-9,9-diphenylfluorene-2,7-diamine?
The canonical SMILES for 2-N,2-N,7-N,7-N-tetrakis[4-(3,4-dimethoxy-5-methylthiophen-2-yl)phenyl]-9,9-diphenylfluorene-2,7-diamine is COc1c(C)sc(-c2ccc(N(c3ccc(-c4sc(C)c(OC)c4OC)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(N(c5ccc(-c6sc(C)c(OC)c6OC)cc5)c5ccc(-c6sc(C)c(OC)c6OC)cc5)ccc3-4)cc2)c1OC.
What is the InChIKey of 2-N,2-N,7-N,7-N-tetrakis[4-(3,4-dimethoxy-5-methylthiophen-2-yl)phenyl]-9,9-diphenylfluorene-2,7-diamine?
The InChIKey is MXWSKHBTMDDWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H68N2O8S4/c1-45-65(80-5)69(84-9)73(88-45)49-23-31-55(32-24-49)78(56-33-25-50(26-34-56)74-70(85-10)66(81-6)46(2)89-74)59-39-41-61-62-42-40-60(44-64(62)77(63(61)43-59,53-19-15-13-16-20-53)54-21-17-14-18-22-54)79(57-35-27-51(28-36-57)75-71(86-11)67(82-7)47(3)90-75)58-37-29-52(30-38-58)76-72(87-12)68(83-8)48(4)91-76/h13-44H,1-12H3.
What are the key properties of 2-N,2-N,7-N,7-N-tetrakis[4-(3,4-dimethoxy-5-methylthiophen-2-yl)phenyl]-9,9-diphenylfluorene-2,7-diamine?
2-N,2-N,7-N,7-N-tetrakis[4-(3,4-dimethoxy-5-methylthiophen-2-yl)phenyl]-9,9-diphenylfluorene-2,7-diamine has a molecular weight of 1277.66 g/mol, XLogP of 21.21, 20 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,7-N,7-N-tetrakis[4-(3,4-dimethoxy-5-methylthiophen-2-yl)phenyl]-9,9-diphenylfluorene-2,7-diamine is sourced from PubChem (CID 90058084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).