N-phenyl-N-[4-(10-phenyl-5,6-dihydronaphtho[1,2-b][1]benzofuran-5-yl)cyclohexa-1,5-dien-1-yl]-3,4-dihydrodibenzothiophen-4-amine

C46H35NOS — CID 167143728

IUPACN-phenyl-N-[4-(10-phenyl-5,6-dihydronaphtho[1,2-b][1]benzofuran-5-yl)cyclohexa-1,5-dien-1-yl]-3,4-dihydrodibenzothiophen-4-amine
SMILESC1=Cc2c(sc3ccccc23)C(N(C2=CCC(C3Cc4c(oc5c(-c6ccccc6)cccc45)-c4ccccc43)C=C2)c2ccccc2)C1
InChIInChI=1S/C46H35NOS/c1-3-13-30(14-4-1)34-20-11-21-38-41-29-40(35-17-7-8-19-37(35)45(41)48-44(34)38)31-25-27-33(28-26-31)47(32-15-5-2-6-16-32)42-23-12-22-39-36-18-9-10-24-43(36)49-46(39)42/h1-22,24-25,27-28,31,40,42H,23,26,29H2
InChIKeyOGAUKTIWAVXDDX-UHFFFAOYSA-N
MW649.86 g/mol
LogP12.75
Rot. Bonds5

About N-phenyl-N-[4-(10-phenyl-5,6-dihydronaphtho[1,2-b][1]benzofuran-5-yl)cyclohexa-1,5-dien-1-yl]-3,4-dihydrodibenzothiophen-4-amine

N-phenyl-N-[4-(10-phenyl-5,6-dihydronaphtho[1,2-b][1]benzofuran-5-yl)cyclohexa-1,5-dien-1-yl]-3,4-dihydrodibenzothiophen-4-amine (PubChem CID 167143728) has the molecular formula C46H35NOS and a molecular weight of 649.86 g/mol. Its IUPAC name is N-phenyl-N-[4-(10-phenyl-5,6-dihydronaphtho[1,2-b][1]benzofuran-5-yl)cyclohexa-1,5-dien-1-yl]-3,4-dihydrodibenzothiophen-4-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(10-phenyl-5,6-dihydronaphtho[1,2-b][1]benzofuran-5-yl)cyclohexa-1,5-dien-1-yl]-3,4-dihydrodibenzothiophen-4-amine
PubChem CID167143728
Molecular FormulaC46H35NOS
Molecular Weight649.86 g/mol
Exact Mass649.24
IUPAC NameN-phenyl-N-[4-(10-phenyl-5,6-dihydronaphtho[1,2-b][1]benzofuran-5-yl)cyclohexa-1,5-dien-1-yl]-3,4-dihydrodibenzothiophen-4-amine
SMILESC1=Cc2c(sc3ccccc23)C(N(C2=CCC(C3Cc4c(oc5c(-c6ccccc6)cccc45)-c4ccccc43)C=C2)c2ccccc2)C1
InChIInChI=1S/C46H35NOS/c1-3-13-30(14-4-1)34-20-11-21-38-41-29-40(35-17-7-8-19-37(35)45(41)48-44(34)38)31-25-27-33(28-26-31)47(32-15-5-2-6-16-32)42-23-12-22-39-36-18-9-10-24-43(36)49-46(39)42/h1-22,24-25,27-28,31,40,42H,23,26,29H2
InChIKeyOGAUKTIWAVXDDX-UHFFFAOYSA-N
XLogP12.75
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.86
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-phenyl-N-[4-(10-phenyl-5,6-dihydronaphtho[1,2-b][1]benzofuran-5-yl)cyclohexa-1,5-dien-1-yl]-3,4-dihydrodibenzothiophen-4-amine with MolForge

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Related Compounds

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
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;4-N,4-N-diphenyl-1-N-[4-(N-[4-(N-phenylanilino)phenyl]anilino)cyclohexa-2,4-dien-1-yl]-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 158633743
2-N-dibenzofuran-3-yl-3-N-(3,4-dihydrodibenzothiophen-4-yl)-2-N,3-N-diphenylnaphtho[2,3-b][1]benzothiole-2,3-diamine
CID 166856032
2-N-naphtho[1,2-b][1]benzothiol-6-yl-2-N,6-N-diphenyl-6-N-(4-phenylphenyl)-1,2,6,7-tetrahydrodibenzothiophene-2,6-diamine
CID 154955141
N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 134171841
N-(1,2-dihydronaphthalen-1-yl)-N-phenyl-5-(4-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-7-amine
CID 155440734
N-(4-dibenzofuran-4-ylcyclohexyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 140920872
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(6-phenyldibenzofuran-2-yl)aniline
CID 129311289
N-[4-(7-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-2-yl)phenyl]-N-naphthalen-2-yl-6-phenyl-3,4-dihydrodibenzofuran-4-amine
CID 166777300
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
CID 167114371
N-[4-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 130390524
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-N,4-N-diphenyl-1-N-[4-(N-[4-(N-phenylanilino)phenyl]anilino)cyclohexa-2,4-dien-1-yl]-1-N-(4-phenylphenyl)benzene-1,4-diamine;methane;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 158314338

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(10-phenyl-5,6-dihydronaphtho[1,2-b][1]benzofuran-5-yl)cyclohexa-1,5-dien-1-yl]-3,4-dihydrodibenzothiophen-4-amine?
The IUPAC name of N-phenyl-N-[4-(10-phenyl-5,6-dihydronaphtho[1,2-b][1]benzofuran-5-yl)cyclohexa-1,5-dien-1-yl]-3,4-dihydrodibenzothiophen-4-amine (CID 167143728) is N-phenyl-N-[4-(10-phenyl-5,6-dihydronaphtho[1,2-b][1]benzofuran-5-yl)cyclohexa-1,5-dien-1-yl]-3,4-dihydrodibenzothiophen-4-amine.
What is the SMILES notation for N-phenyl-N-[4-(10-phenyl-5,6-dihydronaphtho[1,2-b][1]benzofuran-5-yl)cyclohexa-1,5-dien-1-yl]-3,4-dihydrodibenzothiophen-4-amine?
The canonical SMILES for N-phenyl-N-[4-(10-phenyl-5,6-dihydronaphtho[1,2-b][1]benzofuran-5-yl)cyclohexa-1,5-dien-1-yl]-3,4-dihydrodibenzothiophen-4-amine is C1=Cc2c(sc3ccccc23)C(N(C2=CCC(C3Cc4c(oc5c(-c6ccccc6)cccc45)-c4ccccc43)C=C2)c2ccccc2)C1.
What is the InChIKey of N-phenyl-N-[4-(10-phenyl-5,6-dihydronaphtho[1,2-b][1]benzofuran-5-yl)cyclohexa-1,5-dien-1-yl]-3,4-dihydrodibenzothiophen-4-amine?
The InChIKey is OGAUKTIWAVXDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35NOS/c1-3-13-30(14-4-1)34-20-11-21-38-41-29-40(35-17-7-8-19-37(35)45(41)48-44(34)38)31-25-27-33(28-26-31)47(32-15-5-2-6-16-32)42-23-12-22-39-36-18-9-10-24-43(36)49-46(39)42/h1-22,24-25,27-28,31,40,42H,23,26,29H2.
What are the key properties of N-phenyl-N-[4-(10-phenyl-5,6-dihydronaphtho[1,2-b][1]benzofuran-5-yl)cyclohexa-1,5-dien-1-yl]-3,4-dihydrodibenzothiophen-4-amine?
N-phenyl-N-[4-(10-phenyl-5,6-dihydronaphtho[1,2-b][1]benzofuran-5-yl)cyclohexa-1,5-dien-1-yl]-3,4-dihydrodibenzothiophen-4-amine has a molecular weight of 649.86 g/mol, XLogP of 12.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(10-phenyl-5,6-dihydronaphtho[1,2-b][1]benzofuran-5-yl)cyclohexa-1,5-dien-1-yl]-3,4-dihydrodibenzothiophen-4-amine is sourced from PubChem (CID 167143728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).