5-N-[3-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]phenyl]-9-N-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine

C79H56N2S2 — CID 123787474

IUPAC5-N-[3-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]phenyl]-9-N-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
SMILESC=Cc1sc2c(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4cc5c(c6ccccc46)-c4ccc(N(c6ccc(-c7ccccc7)cc6)c6cccc(-c7cccc8c7sc7ccccc78)c6)cc4C5(C)C)c3)cccc2c1C=C
InChIInChI=1S/C79H56N2S2/c1-5-62-68-34-19-32-63(77(68)82-74(62)6-2)56-26-18-28-60(48-56)81(58-43-39-54(40-44-58)52-23-11-8-12-24-52)73-50-72-76(67-31-14-13-29-65(67)73)70-46-45-61(49-71(70)79(72,3)4)80(57-41-37-53(38-42-57)51-21-9-7-10-22-51)59-27-17-25-55(47-59)64-33-20-35-69-66-30-15-16-36-75(66)83-78(64)69/h5-50H,1-2H2,3-4H3
InChIKeyXPDVJAMURAUHGY-UHFFFAOYSA-N
MW1097.47 g/mol
LogP23.62
Rot. Bonds12

About 5-N-[3-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]phenyl]-9-N-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine

5-N-[3-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]phenyl]-9-N-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine (PubChem CID 123787474) has the molecular formula C79H56N2S2 and a molecular weight of 1097.47 g/mol. Its IUPAC name is 5-N-[3-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]phenyl]-9-N-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine.

Molecular Properties

Compound Name5-N-[3-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]phenyl]-9-N-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
PubChem CID123787474
Molecular FormulaC79H56N2S2
Molecular Weight1097.47 g/mol
Exact Mass1096.39
IUPAC Name5-N-[3-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]phenyl]-9-N-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
SMILESC=Cc1sc2c(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4cc5c(c6ccccc46)-c4ccc(N(c6ccc(-c7ccccc7)cc6)c6cccc(-c7cccc8c7sc7ccccc78)c6)cc4C5(C)C)c3)cccc2c1C=C
InChIInChI=1S/C79H56N2S2/c1-5-62-68-34-19-32-63(77(68)82-74(62)6-2)56-26-18-28-60(48-56)81(58-43-39-54(40-44-58)52-23-11-8-12-24-52)73-50-72-76(67-31-14-13-29-65(67)73)70-46-45-61(49-71(70)79(72,3)4)80(57-41-37-53(38-42-57)51-21-9-7-10-22-51)59-27-17-25-55(47-59)64-33-20-35-69-66-30-15-16-36-75(66)83-78(64)69/h5-50H,1-2H2,3-4H3
InChIKeyXPDVJAMURAUHGY-UHFFFAOYSA-N
XLogP23.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001097.47
LogP ≤ 523.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-N-[3-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]phenyl]-9-N-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964214
N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121323910
3-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-N,N-diphenylaniline
CID 118135154
5-dibenzothiophen-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 138519580
2-N,7-N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine;7-dibenzothiophen-4-yl-N-[4-[4-(N-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline;4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 159051141
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 70808719
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160975238
7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 162712053
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-7-phenylfluoren-2-amine
CID 67964472
N-[4-(10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146647899
N,N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-6,7-diphenylfluoren-2-amine
CID 70808691
7-dibenzothiophen-4-yl-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 58113350

Frequently Asked Questions

What is the IUPAC name of 5-N-[3-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]phenyl]-9-N-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine?
The IUPAC name of 5-N-[3-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]phenyl]-9-N-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine (CID 123787474) is 5-N-[3-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]phenyl]-9-N-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine.
What is the SMILES notation for 5-N-[3-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]phenyl]-9-N-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine?
The canonical SMILES for 5-N-[3-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]phenyl]-9-N-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine is C=Cc1sc2c(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4cc5c(c6ccccc46)-c4ccc(N(c6ccc(-c7ccccc7)cc6)c6cccc(-c7cccc8c7sc7ccccc78)c6)cc4C5(C)C)c3)cccc2c1C=C.
What is the InChIKey of 5-N-[3-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]phenyl]-9-N-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine?
The InChIKey is XPDVJAMURAUHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H56N2S2/c1-5-62-68-34-19-32-63(77(68)82-74(62)6-2)56-26-18-28-60(48-56)81(58-43-39-54(40-44-58)52-23-11-8-12-24-52)73-50-72-76(67-31-14-13-29-65(67)73)70-46-45-61(49-71(70)79(72,3)4)80(57-41-37-53(38-42-57)51-21-9-7-10-22-51)59-27-17-25-55(47-59)64-33-20-35-69-66-30-15-16-36-75(66)83-78(64)69/h5-50H,1-2H2,3-4H3.
What are the key properties of 5-N-[3-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]phenyl]-9-N-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine?
5-N-[3-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]phenyl]-9-N-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine has a molecular weight of 1097.47 g/mol, XLogP of 23.62, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[3-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]phenyl]-9-N-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine is sourced from PubChem (CID 123787474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).