N-[4-(2,3-dihydrodibenzofuran-4-yl)phenyl]-5-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-7b,11a-dihydro-[1]benzothiolo[2,3-g]carbazol-3-amine

C54H40N2OS — CID 69089757

IUPACN-[4-(2,3-dihydrodibenzofuran-4-yl)phenyl]-5-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-7b,11a-dihydro-[1]benzothiolo[2,3-g]carbazol-3-amine
SMILESC1=CC2Sc3c(ccc4c3c3ccc(N(C5=CCC(c6ccccc6)C=C5)c5ccc(C6=c7oc8ccccc8c7=CCC6)cc5)cc3n4-c3ccccc3)C2C=C1
InChIInChI=1S/C54H40N2OS/c1-3-12-35(13-4-1)36-22-26-39(27-23-36)55(40-28-24-37(25-29-40)42-18-11-19-45-43-16-7-9-20-50(43)57-53(42)45)41-30-31-47-49(34-41)56(38-14-5-2-6-15-38)48-33-32-46-44-17-8-10-21-51(44)58-54(46)52(47)48/h1-10,12-17,19-22,24-34,36,44,51H,11,18,23H2
InChIKeyAUEGFUYOKKRMJJ-UHFFFAOYSA-N
MW764.99 g/mol
LogP12.75
Rot. Bonds6

About N-[4-(2,3-dihydrodibenzofuran-4-yl)phenyl]-5-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-7b,11a-dihydro-[1]benzothiolo[2,3-g]carbazol-3-amine

N-[4-(2,3-dihydrodibenzofuran-4-yl)phenyl]-5-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-7b,11a-dihydro-[1]benzothiolo[2,3-g]carbazol-3-amine (PubChem CID 69089757) has the molecular formula C54H40N2OS and a molecular weight of 764.99 g/mol. Its IUPAC name is N-[4-(2,3-dihydrodibenzofuran-4-yl)phenyl]-5-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-7b,11a-dihydro-[1]benzothiolo[2,3-g]carbazol-3-amine.

Molecular Properties

Compound NameN-[4-(2,3-dihydrodibenzofuran-4-yl)phenyl]-5-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-7b,11a-dihydro-[1]benzothiolo[2,3-g]carbazol-3-amine
PubChem CID69089757
Molecular FormulaC54H40N2OS
Molecular Weight764.99 g/mol
Exact Mass764.29
IUPAC NameN-[4-(2,3-dihydrodibenzofuran-4-yl)phenyl]-5-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-7b,11a-dihydro-[1]benzothiolo[2,3-g]carbazol-3-amine
SMILESC1=CC2Sc3c(ccc4c3c3ccc(N(C5=CCC(c6ccccc6)C=C5)c5ccc(C6=c7oc8ccccc8c7=CCC6)cc5)cc3n4-c3ccccc3)C2C=C1
InChIInChI=1S/C54H40N2OS/c1-3-12-35(13-4-1)36-22-26-39(27-23-36)55(40-28-24-37(25-29-40)42-18-11-19-45-43-16-7-9-20-50(43)57-53(42)45)41-30-31-47-49(34-41)56(38-14-5-2-6-15-38)48-33-32-46-44-17-8-10-21-51(44)58-54(46)52(47)48/h1-10,12-17,19-22,24-34,36,44,51H,11,18,23H2
InChIKeyAUEGFUYOKKRMJJ-UHFFFAOYSA-N
XLogP12.75
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.99
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(2,3-dihydrodibenzofuran-4-yl)phenyl]-5-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-7b,11a-dihydro-[1]benzothiolo[2,3-g]carbazol-3-amine with MolForge

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Related Compounds

N,N,9-triphenyl-6-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]carbazol-2-amine
CID 130241442
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CID 163742655
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
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-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine
CID 175631019
N-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(3-phenylphenyl)-5a,9a-dihydrodibenzothiophen-2-amine
CID 170177943
N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine
CID 163564194
N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline
CID 129311507
N-[4-(4,4a-dihydrodibenzofuran-4-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-5a,9a-dihydrodibenzothiophen-3-amine
CID 168814728
N-(3-carbazol-9-ylphenyl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
CID 167278207
N,N-diphenyl-5-[4-(N-[3-(4-phenylphenyl)phenyl]anilino)phenyl]-[1]benzofuro[2,3-g]carbazol-3-amine
CID 90050679
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(6-phenyldibenzofuran-2-yl)aniline
CID 129311289

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydrodibenzofuran-4-yl)phenyl]-5-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-7b,11a-dihydro-[1]benzothiolo[2,3-g]carbazol-3-amine?
The IUPAC name of N-[4-(2,3-dihydrodibenzofuran-4-yl)phenyl]-5-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-7b,11a-dihydro-[1]benzothiolo[2,3-g]carbazol-3-amine (CID 69089757) is N-[4-(2,3-dihydrodibenzofuran-4-yl)phenyl]-5-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-7b,11a-dihydro-[1]benzothiolo[2,3-g]carbazol-3-amine.
What is the SMILES notation for N-[4-(2,3-dihydrodibenzofuran-4-yl)phenyl]-5-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-7b,11a-dihydro-[1]benzothiolo[2,3-g]carbazol-3-amine?
The canonical SMILES for N-[4-(2,3-dihydrodibenzofuran-4-yl)phenyl]-5-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-7b,11a-dihydro-[1]benzothiolo[2,3-g]carbazol-3-amine is C1=CC2Sc3c(ccc4c3c3ccc(N(C5=CCC(c6ccccc6)C=C5)c5ccc(C6=c7oc8ccccc8c7=CCC6)cc5)cc3n4-c3ccccc3)C2C=C1.
What is the InChIKey of N-[4-(2,3-dihydrodibenzofuran-4-yl)phenyl]-5-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-7b,11a-dihydro-[1]benzothiolo[2,3-g]carbazol-3-amine?
The InChIKey is AUEGFUYOKKRMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2OS/c1-3-12-35(13-4-1)36-22-26-39(27-23-36)55(40-28-24-37(25-29-40)42-18-11-19-45-43-16-7-9-20-50(43)57-53(42)45)41-30-31-47-49(34-41)56(38-14-5-2-6-15-38)48-33-32-46-44-17-8-10-21-51(44)58-54(46)52(47)48/h1-10,12-17,19-22,24-34,36,44,51H,11,18,23H2.
What are the key properties of N-[4-(2,3-dihydrodibenzofuran-4-yl)phenyl]-5-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-7b,11a-dihydro-[1]benzothiolo[2,3-g]carbazol-3-amine?
N-[4-(2,3-dihydrodibenzofuran-4-yl)phenyl]-5-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-7b,11a-dihydro-[1]benzothiolo[2,3-g]carbazol-3-amine has a molecular weight of 764.99 g/mol, XLogP of 12.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydrodibenzofuran-4-yl)phenyl]-5-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)-7b,11a-dihydro-[1]benzothiolo[2,3-g]carbazol-3-amine is sourced from PubChem (CID 69089757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).