6-cyclohexa-2,4-dien-1-yl-N-[4-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylcyclohexa-1,5-dien-1-yl)-2,3,8,9-tetrahydrodibenzothiophen-4-amine

C54H47NS2 — CID 167397408

IUPAC6-cyclohexa-2,4-dien-1-yl-N-[4-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylcyclohexa-1,5-dien-1-yl)-2,3,8,9-tetrahydrodibenzothiophen-4-amine
SMILESC1=CCC(C2=CCCc3c2sc2c3=CCCC=2N(C2=CCC(c3cccc4sc5ccccc5c34)C=C2)c2ccc(C3C=C(C4=CCCC=C4)C=CC3)cc2)C=C1
InChIInChI=1S/C54H47NS2/c1-3-13-36(14-4-1)40-17-9-18-41(35-40)37-27-31-42(32-28-37)55(43-33-29-39(30-34-43)44-20-12-26-51-52(44)48-19-7-8-25-50(48)56-51)49-24-11-23-47-46-22-10-21-45(53(46)57-54(47)49)38-15-5-2-6-16-38/h2-3,5-9,12-15,17,19-21,23,25-29,31-35,38-39,41H,1,4,10-11,16,18,22,24,30H2
InChIKeySRMQLWPLOGYNFF-UHFFFAOYSA-N
MW774.11 g/mol
LogP13.64
Rot. Bonds7

About 6-cyclohexa-2,4-dien-1-yl-N-[4-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylcyclohexa-1,5-dien-1-yl)-2,3,8,9-tetrahydrodibenzothiophen-4-amine

6-cyclohexa-2,4-dien-1-yl-N-[4-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylcyclohexa-1,5-dien-1-yl)-2,3,8,9-tetrahydrodibenzothiophen-4-amine (PubChem CID 167397408) has the molecular formula C54H47NS2 and a molecular weight of 774.11 g/mol. Its IUPAC name is 6-cyclohexa-2,4-dien-1-yl-N-[4-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylcyclohexa-1,5-dien-1-yl)-2,3,8,9-tetrahydrodibenzothiophen-4-amine.

Molecular Properties

Compound Name6-cyclohexa-2,4-dien-1-yl-N-[4-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylcyclohexa-1,5-dien-1-yl)-2,3,8,9-tetrahydrodibenzothiophen-4-amine
PubChem CID167397408
Molecular FormulaC54H47NS2
Molecular Weight774.11 g/mol
Exact Mass773.31
IUPAC Name6-cyclohexa-2,4-dien-1-yl-N-[4-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylcyclohexa-1,5-dien-1-yl)-2,3,8,9-tetrahydrodibenzothiophen-4-amine
SMILESC1=CCC(C2=CCCc3c2sc2c3=CCCC=2N(C2=CCC(c3cccc4sc5ccccc5c34)C=C2)c2ccc(C3C=C(C4=CCCC=C4)C=CC3)cc2)C=C1
InChIInChI=1S/C54H47NS2/c1-3-13-36(14-4-1)40-17-9-18-41(35-40)37-27-31-42(32-28-37)55(43-33-29-39(30-34-43)44-20-12-26-51-52(44)48-19-7-8-25-50(48)56-51)49-24-11-23-47-46-22-10-21-45(53(46)57-54(47)49)38-15-5-2-6-16-38/h2-3,5-9,12-15,17,19-21,23,25-29,31-35,38-39,41H,1,4,10-11,16,18,22,24,30H2
InChIKeySRMQLWPLOGYNFF-UHFFFAOYSA-N
XLogP13.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.11
LogP ≤ 513.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-cyclohexa-2,4-dien-1-yl-N-[4-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylcyclohexa-1,5-dien-1-yl)-2,3,8,9-tetrahydrodibenzothiophen-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(6-cyclohexa-1,5-dien-1-yl-2,3-dihydrodibenzothiophen-4-yl)-N-(4-dibenzothiophen-2-ylcyclohexa-1,5-dien-1-yl)-6,7-dihydrodibenzofuran-3-amine
CID 167397781
1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)phenyl]-4-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-1-N-(1,2-dihydronaphthalen-1-yl)cyclohexa-1,3-diene-1,4-diamine
CID 70897486
4-[4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]dibenzothiophene
CID 139307562
N-[4-[5-(6-cyclohexa-2,4-dien-1-yldibenzothiophen-1-yl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]-4-(5,6-didehydronaphthalen-1-yl)-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline
CID 129301012
4-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-dibenzofuran-2-ylphenyl)aniline
CID 144583029
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-[4-(10-naphthalen-2-yl-5,6-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]dibenzothiophen-1-amine
CID 167144548
N-(4-carbazol-9-ylphenyl)-N-cyclohexa-1,5-dien-1-yl-4-(10-cyclohexa-2,4-dien-1-yl-1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)aniline
CID 167144567
9-[4-[2-(4-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)-3,4-dihydrocarbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine
CID 88869766
6-N-cyclohexa-1,3-dien-1-yl-2-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dinaphthalen-1-yl-2-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)anthracene-2,6-diamine
CID 89152667
N-[4-(4a,9b-dihydrodibenzothiophen-3-yl)phenyl]-6-cyclohexa-1,5-dien-1-yl-N-[4-(4-phenyl-1,8a-dihydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-2,3-dihydrodibenzothiophen-4-amine
CID 167396648
N-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-N-[4-(2,3-dihydrophenanthren-2-yl)cyclohexa-2,4-dien-1-yl]-6-phenyl-2,3,8,9-tetrahydrodibenzothiophen-4-amine
CID 167396274
4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-10,10-dimethyl-N-[4-(9-phenylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-5,9a-dihydro-4bH-benzo[a]azulen-7-amine
CID 138723851

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-2,4-dien-1-yl-N-[4-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylcyclohexa-1,5-dien-1-yl)-2,3,8,9-tetrahydrodibenzothiophen-4-amine?
The IUPAC name of 6-cyclohexa-2,4-dien-1-yl-N-[4-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylcyclohexa-1,5-dien-1-yl)-2,3,8,9-tetrahydrodibenzothiophen-4-amine (CID 167397408) is 6-cyclohexa-2,4-dien-1-yl-N-[4-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylcyclohexa-1,5-dien-1-yl)-2,3,8,9-tetrahydrodibenzothiophen-4-amine.
What is the SMILES notation for 6-cyclohexa-2,4-dien-1-yl-N-[4-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylcyclohexa-1,5-dien-1-yl)-2,3,8,9-tetrahydrodibenzothiophen-4-amine?
The canonical SMILES for 6-cyclohexa-2,4-dien-1-yl-N-[4-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylcyclohexa-1,5-dien-1-yl)-2,3,8,9-tetrahydrodibenzothiophen-4-amine is C1=CCC(C2=CCCc3c2sc2c3=CCCC=2N(C2=CCC(c3cccc4sc5ccccc5c34)C=C2)c2ccc(C3C=C(C4=CCCC=C4)C=CC3)cc2)C=C1.
What is the InChIKey of 6-cyclohexa-2,4-dien-1-yl-N-[4-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylcyclohexa-1,5-dien-1-yl)-2,3,8,9-tetrahydrodibenzothiophen-4-amine?
The InChIKey is SRMQLWPLOGYNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H47NS2/c1-3-13-36(14-4-1)40-17-9-18-41(35-40)37-27-31-42(32-28-37)55(43-33-29-39(30-34-43)44-20-12-26-51-52(44)48-19-7-8-25-50(48)56-51)49-24-11-23-47-46-22-10-21-45(53(46)57-54(47)49)38-15-5-2-6-16-38/h2-3,5-9,12-15,17,19-21,23,25-29,31-35,38-39,41H,1,4,10-11,16,18,22,24,30H2.
What are the key properties of 6-cyclohexa-2,4-dien-1-yl-N-[4-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylcyclohexa-1,5-dien-1-yl)-2,3,8,9-tetrahydrodibenzothiophen-4-amine?
6-cyclohexa-2,4-dien-1-yl-N-[4-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylcyclohexa-1,5-dien-1-yl)-2,3,8,9-tetrahydrodibenzothiophen-4-amine has a molecular weight of 774.11 g/mol, XLogP of 13.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-2,4-dien-1-yl-N-[4-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylcyclohexa-1,5-dien-1-yl)-2,3,8,9-tetrahydrodibenzothiophen-4-amine is sourced from PubChem (CID 167397408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).