4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]-N,N-bis[4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]phenyl]aniline

C81H60N4O6S6 — CID 102097667

IUPAC4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]-N,N-bis[4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]phenyl]aniline
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1sc2cc(-c3ccc(N(c4ccc(-c5cc6sc(-n7c8ccc(OC)cc8c8cc(OC)ccc87)c(C)c6s5)cc4)c4ccc(-c5cc6sc(-n7c8ccc(OC)cc8c8cc(OC)ccc87)c(C)c6s5)cc4)cc3)sc2c1C
InChIInChI=1S/C81H60N4O6S6/c1-43-76-73(95-79(43)83-64-28-22-52(86-4)34-58(64)59-35-53(87-5)23-29-65(59)83)40-70(92-76)46-10-16-49(17-11-46)82(50-18-12-47(13-19-50)71-41-74-77(93-71)44(2)80(96-74)84-66-30-24-54(88-6)36-60(66)61-37-55(89-7)25-31-67(61)84)51-20-14-48(15-21-51)72-42-75-78(94-72)45(3)81(97-75)85-68-32-26-56(90-8)38-62(68)63-39-57(91-9)27-33-69(63)85/h10-42H,1-9H3
InChIKeyCVXYHMURYBXTQT-UHFFFAOYSA-N
MW1377.79 g/mol
LogP24.25
Rot. Bonds15

About 4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]-N,N-bis[4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]phenyl]aniline

4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]-N,N-bis[4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]phenyl]aniline (PubChem CID 102097667) has the molecular formula C81H60N4O6S6 and a molecular weight of 1377.79 g/mol. Its IUPAC name is 4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]-N,N-bis[4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]phenyl]aniline.

Molecular Properties

Compound Name4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]-N,N-bis[4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]phenyl]aniline
PubChem CID102097667
Molecular FormulaC81H60N4O6S6
Molecular Weight1377.79 g/mol
Exact Mass1376.28
IUPAC Name4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]-N,N-bis[4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]phenyl]aniline
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1sc2cc(-c3ccc(N(c4ccc(-c5cc6sc(-n7c8ccc(OC)cc8c8cc(OC)ccc87)c(C)c6s5)cc4)c4ccc(-c5cc6sc(-n7c8ccc(OC)cc8c8cc(OC)ccc87)c(C)c6s5)cc4)cc3)sc2c1C
InChIInChI=1S/C81H60N4O6S6/c1-43-76-73(95-79(43)83-64-28-22-52(86-4)34-58(64)59-35-53(87-5)23-29-65(59)83)40-70(92-76)46-10-16-49(17-11-46)82(50-18-12-47(13-19-50)71-41-74-77(93-71)44(2)80(96-74)84-66-30-24-54(88-6)36-60(66)61-37-55(89-7)25-31-67(61)84)51-20-14-48(15-21-51)72-42-75-78(94-72)45(3)81(97-75)85-68-32-26-56(90-8)38-62(68)63-39-57(91-9)27-33-69(63)85/h10-42H,1-9H3
InChIKeyCVXYHMURYBXTQT-UHFFFAOYSA-N
XLogP24.25
TPSA73.41 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001377.79
LogP ≤ 524.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]-N,N-bis[4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]phenyl]aniline with MolForge

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Related Compounds

9,9'-(Sulfonylbis(4,1-phenylene))bis(3,6-dimethoxy-9H-carbazole)
CID 102232347
N-[4-(3-fluorophenyl)phenyl]-2-(6-methoxy-9-phenylcarbazol-2-yl)-N-(4-pyren-2-ylphenyl)thieno[3,2-b]thiophen-5-amine
CID 90194074
3-[3-(3,6-Dimethoxycarbazol-9-yl)phenyl]-4,5-difluoro-6-(3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaen-9-yl)benzene-1,2-dicarbonitrile
CID 138690732
4-Carbazol-9-yl-3-(dimethylamino)-5-phenylbenzonitrile;4-carbazol-9-yl-3,5-dithiophen-2-ylbenzonitrile;bis(4-carbazol-9-yl-3-methylbenzonitrile);bis(4-carbazol-9-yl-3-methyl-5-phenylbenzonitrile);4-carbazol-9-yl-3-phenyl-5-thiophen-2-ylbenzonitrile;bis(3-methoxy-6-methyl-9-[2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole)
CID 158112651
Bis(3,6-ditert-butyl-9-[2-methyl-6-phenyl-4-(trifluoromethyl)phenyl]carbazole);3,6-ditert-butyl-9-[2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole;3,6-ditert-butyl-9-[2-methyl-4-(trifluoromethyl)phenyl]carbazole;3-methoxy-6-methyl-9-[2-methyl-4-(trifluoromethyl)phenyl]carbazole
CID 158304994
7-(4-tert-butylphenyl)-4-N,4-N,10-N,10-N-tetrakis(4-methoxyphenyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-diamine
CID 90890940
9,9'-(Sulfonylbis(4,1-phenylene))bis(3-methoxy-6-(thiophen-2-yl)-9h-carbazole)
CID 168356111
(e)-4-(5-(2-(9h-carbazol-9-yl)vinyl)thiophen-2-yl)-N,N-bis(4-methoxyphenyl)aniline
CID 168432047
9-Ethyl-3-[4-[2-[5-(9-ethyl-6-methoxycarbazol-3-yl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-6-methoxycarbazole
CID 102042230
4,5-Difluoro-2-isocyano-6-[3-(3-methoxy-6-methylcarbazol-9-yl)phenyl]-3-(3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaen-9-yl)benzonitrile
CID 158703222
2-[1-[4-[3-(1,3-Benzothiazol-2-yl)-1-(4-methoxyphenyl)indol-2-yl]phenyl]-2-phenylindol-3-yl]-1,3-benzothiazole
CID 21301869
2-[2-[4-(2,5-Dimethylpyrrol-1-yl)phenyl]-1-(4-methoxyphenyl)indol-3-yl]-1,3-benzothiazole
CID 21301872

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]-N,N-bis[4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]phenyl]aniline?
The IUPAC name of 4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]-N,N-bis[4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]phenyl]aniline (CID 102097667) is 4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]-N,N-bis[4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]phenyl]aniline.
What is the SMILES notation for 4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]-N,N-bis[4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]phenyl]aniline?
The canonical SMILES for 4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]-N,N-bis[4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]phenyl]aniline is COc1ccc2c(c1)c1cc(OC)ccc1n2-c1sc2cc(-c3ccc(N(c4ccc(-c5cc6sc(-n7c8ccc(OC)cc8c8cc(OC)ccc87)c(C)c6s5)cc4)c4ccc(-c5cc6sc(-n7c8ccc(OC)cc8c8cc(OC)ccc87)c(C)c6s5)cc4)cc3)sc2c1C.
What is the InChIKey of 4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]-N,N-bis[4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]phenyl]aniline?
The InChIKey is CVXYHMURYBXTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H60N4O6S6/c1-43-76-73(95-79(43)83-64-28-22-52(86-4)34-58(64)59-35-53(87-5)23-29-65(59)83)40-70(92-76)46-10-16-49(17-11-46)82(50-18-12-47(13-19-50)71-41-74-77(93-71)44(2)80(96-74)84-66-30-24-54(88-6)36-60(66)61-37-55(89-7)25-31-67(61)84)51-20-14-48(15-21-51)72-42-75-78(94-72)45(3)81(97-75)85-68-32-26-56(90-8)38-62(68)63-39-57(91-9)27-33-69(63)85/h10-42H,1-9H3.
What are the key properties of 4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]-N,N-bis[4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]phenyl]aniline?
4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]-N,N-bis[4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]phenyl]aniline has a molecular weight of 1377.79 g/mol, XLogP of 24.25, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]-N,N-bis[4-[5-(3,6-dimethoxycarbazol-9-yl)-6-methylthieno[3,2-b]thiophen-2-yl]phenyl]aniline is sourced from PubChem (CID 102097667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).