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

C75H80N2O8S4 — CID 90057816

IUPAC2-N,2-N,7-N,7-N-tetrakis[4-(3,4-diethoxy-5-methylthiophen-2-yl)phenyl]-9,9-dimethylfluorene-2,7-diamine
SMILESCCOc1c(C)sc(-c2ccc(N(c3ccc(-c4sc(C)c(OCC)c4OCC)cc3)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(-c6sc(C)c(OCC)c6OCC)cc5)c5ccc(-c6sc(C)c(OCC)c6OCC)cc5)ccc3-4)cc2)c1OCC
InChIInChI=1S/C75H80N2O8S4/c1-15-78-63-45(9)86-71(67(63)82-19-5)49-23-31-53(32-24-49)76(54-33-25-50(26-34-54)72-68(83-20-6)64(79-16-2)46(10)87-72)57-39-41-59-60-42-40-58(44-62(60)75(13,14)61(59)43-57)77(55-35-27-51(28-36-55)73-69(84-21-7)65(80-17-3)47(11)88-73)56-37-29-52(30-38-56)74-70(85-22-8)66(81-18-4)48(12)89-74/h23-44H,15-22H2,1-14H3
InChIKeyNQEIMRFYLXEAIP-UHFFFAOYSA-N
MW1265.74 g/mol
LogP22.27
Rot. Bonds26

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

2-N,2-N,7-N,7-N-tetrakis[4-(3,4-diethoxy-5-methylthiophen-2-yl)phenyl]-9,9-dimethylfluorene-2,7-diamine (PubChem CID 90057816) has the molecular formula C75H80N2O8S4 and a molecular weight of 1265.74 g/mol. Its IUPAC name is 2-N,2-N,7-N,7-N-tetrakis[4-(3,4-diethoxy-5-methylthiophen-2-yl)phenyl]-9,9-dimethylfluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,2-N,7-N,7-N-tetrakis[4-(3,4-diethoxy-5-methylthiophen-2-yl)phenyl]-9,9-dimethylfluorene-2,7-diamine
PubChem CID90057816
Molecular FormulaC75H80N2O8S4
Molecular Weight1265.74 g/mol
Exact Mass1264.48
IUPAC Name2-N,2-N,7-N,7-N-tetrakis[4-(3,4-diethoxy-5-methylthiophen-2-yl)phenyl]-9,9-dimethylfluorene-2,7-diamine
SMILESCCOc1c(C)sc(-c2ccc(N(c3ccc(-c4sc(C)c(OCC)c4OCC)cc3)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(-c6sc(C)c(OCC)c6OCC)cc5)c5ccc(-c6sc(C)c(OCC)c6OCC)cc5)ccc3-4)cc2)c1OCC
InChIInChI=1S/C75H80N2O8S4/c1-15-78-63-45(9)86-71(67(63)82-19-5)49-23-31-53(32-24-49)76(54-33-25-50(26-34-54)72-68(83-20-6)64(79-16-2)46(10)87-72)57-39-41-59-60-42-40-58(44-62(60)75(13,14)61(59)43-57)77(55-35-27-51(28-36-55)73-69(84-21-7)65(80-17-3)47(11)88-73)56-37-29-52(30-38-56)74-70(85-22-8)66(81-18-4)48(12)89-74/h23-44H,15-22H2,1-14H3
InChIKeyNQEIMRFYLXEAIP-UHFFFAOYSA-N
XLogP22.27
TPSA80.32 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds26
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001265.74
LogP ≤ 522.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Related Compounds

9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis[4-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]fluorene-2,7-diamine
CID 90057824
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine
CID 59800971
N-[4-[5-[5-[5-[5-[5-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 139939126
7-[5-[5-[5-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 102025534
1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;9,9-dimethyl-2-N,7-N-bis[4-(5-methylthiophen-2-yl)phenyl]-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-phenyl-N-[4-[4-(4-phenyl-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(3,4,5-trimethylthiophen-2-yl)phenyl]aniline
CID 160748751
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
9,9-diethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;bis(9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine);2-N,2-N,7-N,7-N-tetrakis(4-ethylphenyl)-9,9-dimethylfluorene-2,7-diamine
CID 160966988
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
9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine
CID 142614599
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,7-N,7-N-tetrakis[4-(3,4-diethoxy-5-methylthiophen-2-yl)phenyl]-9,9-dimethylfluorene-2,7-diamine?
The IUPAC name of 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) is 2-N,2-N,7-N,7-N-tetrakis[4-(3,4-diethoxy-5-methylthiophen-2-yl)phenyl]-9,9-dimethylfluorene-2,7-diamine.
What is the SMILES notation for 2-N,2-N,7-N,7-N-tetrakis[4-(3,4-diethoxy-5-methylthiophen-2-yl)phenyl]-9,9-dimethylfluorene-2,7-diamine?
The canonical SMILES for 2-N,2-N,7-N,7-N-tetrakis[4-(3,4-diethoxy-5-methylthiophen-2-yl)phenyl]-9,9-dimethylfluorene-2,7-diamine is CCOc1c(C)sc(-c2ccc(N(c3ccc(-c4sc(C)c(OCC)c4OCC)cc3)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(-c6sc(C)c(OCC)c6OCC)cc5)c5ccc(-c6sc(C)c(OCC)c6OCC)cc5)ccc3-4)cc2)c1OCC.
What is the InChIKey of 2-N,2-N,7-N,7-N-tetrakis[4-(3,4-diethoxy-5-methylthiophen-2-yl)phenyl]-9,9-dimethylfluorene-2,7-diamine?
The InChIKey is NQEIMRFYLXEAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H80N2O8S4/c1-15-78-63-45(9)86-71(67(63)82-19-5)49-23-31-53(32-24-49)76(54-33-25-50(26-34-54)72-68(83-20-6)64(79-16-2)46(10)87-72)57-39-41-59-60-42-40-58(44-62(60)75(13,14)61(59)43-57)77(55-35-27-51(28-36-55)73-69(84-21-7)65(80-17-3)47(11)88-73)56-37-29-52(30-38-56)74-70(85-22-8)66(81-18-4)48(12)89-74/h23-44H,15-22H2,1-14H3.
What are the key properties of 2-N,2-N,7-N,7-N-tetrakis[4-(3,4-diethoxy-5-methylthiophen-2-yl)phenyl]-9,9-dimethylfluorene-2,7-diamine?
2-N,2-N,7-N,7-N-tetrakis[4-(3,4-diethoxy-5-methylthiophen-2-yl)phenyl]-9,9-dimethylfluorene-2,7-diamine has a molecular weight of 1265.74 g/mol, XLogP of 22.27, 26 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-diethoxy-5-methylthiophen-2-yl)phenyl]-9,9-dimethylfluorene-2,7-diamine is sourced from PubChem (CID 90057816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).