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

C56H45NOS — CID 167396274

IUPACN-[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
SMILESC1=CC(c2ccc(N(C3=c4sc5c(c4=CCC3)CCC=C5c3ccccc3)C3C=CC(C4C=c5ccc6ccccc6c5=CC4)=CC3)cc2)=C2Oc3ccccc3C2C1
InChIInChI=1S/C56H45NOS/c1-2-11-37(12-3-1)47-17-9-19-50-51-20-10-21-52(56(51)59-55(47)50)57(43-32-27-39(28-33-43)46-16-8-18-49-48-15-6-7-22-53(48)58-54(46)49)42-30-25-36(26-31-42)40-29-34-45-41(35-40)24-23-38-13-4-5-14-44(38)45/h1-8,11-17,20,22-28,30,32-35,40,42,49H,9-10,18-19,21,29,31H2
InChIKeyGZFMNBFMYZYCPC-UHFFFAOYSA-N
MW780.05 g/mol
LogP10.85
Rot. Bonds6

About 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

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 (PubChem CID 167396274) has the molecular formula C56H45NOS and a molecular weight of 780.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID167396274
Molecular FormulaC56H45NOS
Molecular Weight780.05 g/mol
Exact Mass779.32
IUPAC NameN-[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
SMILESC1=CC(c2ccc(N(C3=c4sc5c(c4=CCC3)CCC=C5c3ccccc3)C3C=CC(C4C=c5ccc6ccccc6c5=CC4)=CC3)cc2)=C2Oc3ccccc3C2C1
InChIInChI=1S/C56H45NOS/c1-2-11-37(12-3-1)47-17-9-19-50-51-20-10-21-52(56(51)59-55(47)50)57(43-32-27-39(28-33-43)46-16-8-18-49-48-15-6-7-22-53(48)58-54(46)49)42-30-25-36(26-31-42)40-29-34-45-41(35-40)24-23-38-13-4-5-14-44(38)45/h1-8,11-17,20,22-28,30,32-35,40,42,49H,9-10,18-19,21,29,31H2
InChIKeyGZFMNBFMYZYCPC-UHFFFAOYSA-N
XLogP10.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.05
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

N-[4-(4a,9b-dihydrodibenzothiophen-2-yl)cyclohexa-1,5-dien-1-yl]-N-(6-phenyl-2,3,8,9-tetrahydrodibenzothiophen-4-yl)-1,2-dihydrodibenzofuran-2-amine
CID 167397083
N-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-N-(6-phenyl-2,3-dihydrodibenzothiophen-4-yl)dibenzofuran-3-amine
CID 167397352
N-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-[4-(2,3-dihydronaphthalen-2-yl)cyclohexa-2,4-dien-1-yl]-6-phenyl-2,3-dihydrodibenzothiophen-4-amine
CID 167397095
N-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]-N-(6-cyclohexa-1,5-dien-1-yl-1,2,5,6-tetrahydronaphthalen-2-yl)-6-cyclohex-2-en-1-yldibenzothiophen-4-amine
CID 167397288
N-[4-(4a,8,9,9b-tetrahydrodibenzothiophen-3-yl)cyclohexa-1,5-dien-1-yl]-N-(6-phenyl-2,3,8,9-tetrahydrodibenzothiophen-4-yl)-1,6,7,8,9,9b-hexahydrodibenzofuran-1-amine
CID 167396790
N-[4-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 130390524
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
4-(1,6,7,9b-tetrahydrodibenzothiophen-4-yl)-N-(4-cyclohex-2-en-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-(5-phenyl-3,4,6,7,8,9-hexahydro-[1]benzofuro[3,2-c]carbazol-11-yl)cyclohexa-1,5-dien-1-yl]aniline
CID 69090419
2-(1,9b-dihydrodibenzofuran-4-yl)-N-(2-dibenzofuran-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170300280
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
N-[4-[4-(N-naphthalen-1-ylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-phenylnaphthalen-1-amine
CID 123939537
N-(4-cyclohexa-1,5-dien-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6,7-dihydrophenanthren-3-amine
CID 123855546

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC(c2ccc(N(C3=c4sc5c(c4=CCC3)CCC=C5c3ccccc3)C3C=CC(C4C=c5ccc6ccccc6c5=CC4)=CC3)cc2)=C2Oc3ccccc3C2C1.
What is the InChIKey of 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?
The InChIKey is GZFMNBFMYZYCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45NOS/c1-2-11-37(12-3-1)47-17-9-19-50-51-20-10-21-52(56(51)59-55(47)50)57(43-32-27-39(28-33-43)46-16-8-18-49-48-15-6-7-22-53(48)58-54(46)49)42-30-25-36(26-31-42)40-29-34-45-41(35-40)24-23-38-13-4-5-14-44(38)45/h1-8,11-17,20,22-28,30,32-35,40,42,49H,9-10,18-19,21,29,31H2.
What are the key properties of 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?
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 has a molecular weight of 780.05 g/mol, XLogP of 10.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167396274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).