N-phenyl-N-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine

C53H33NOS — CID 172539722

IUPACN-phenyl-N-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5c3ccc3ccccc53)c3ccccc3-4)cc2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C53H33NOS/c1-2-14-37(15-3-1)54(48-22-12-19-43-42-18-7-11-24-50(42)56-52(43)48)38-29-25-34(26-30-38)36-27-31-41-40-17-6-8-20-44(40)53(47(41)33-36)45-21-9-10-23-49(45)55-51-39-16-5-4-13-35(39)28-32-46(51)53/h1-33H
InChIKeyUXZMIGAAJDRVTO-UHFFFAOYSA-N
MW731.92 g/mol
LogP14.81
Rot. Bonds4

About N-phenyl-N-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine

N-phenyl-N-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine (PubChem CID 172539722) has the molecular formula C53H33NOS and a molecular weight of 731.92 g/mol. Its IUPAC name is N-phenyl-N-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-phenyl-N-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine
PubChem CID172539722
Molecular FormulaC53H33NOS
Molecular Weight731.92 g/mol
Exact Mass731.23
IUPAC NameN-phenyl-N-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5c3ccc3ccccc53)c3ccccc3-4)cc2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C53H33NOS/c1-2-14-37(15-3-1)54(48-22-12-19-43-42-18-7-11-24-50(42)56-52(43)48)38-29-25-34(26-30-38)36-27-31-41-40-17-6-8-20-44(40)53(47(41)33-36)45-21-9-10-23-49(45)55-51-39-16-5-4-13-35(39)28-32-46(51)53/h1-33H
InChIKeyUXZMIGAAJDRVTO-UHFFFAOYSA-N
XLogP14.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.92
LogP ≤ 514.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-3-ylphenyl)-2-phenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)aniline;N-(4-dibenzothiophen-3-ylphenyl)-3-phenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)aniline
CID 160825349
N-(3-phenylphenyl)-N-(2-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-3-amine
CID 138568553
N-phenyl-N-(2-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzothiophen-4-amine
CID 138568311
(Z)-but-2-ene;N-(4-dibenzothiophen-2-ylphenyl)-2-phenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)aniline
CID 145292094
N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-amine
CID 147331845
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566059
N-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)aniline
CID 135229817
N-(9,9-dimethylfluoren-2-yl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzothiophen-4-amine
CID 138568677
N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-3-amine
CID 135229718
2-N',7-N'-di(dibenzothiophen-4-yl)-2-N',7-N'-diphenylspiro[fluorene-9,9'-xanthene]-2',7'-diamine
CID 167178046
N-dibenzothiophen-2-yl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)dibenzothiophen-2-amine
CID 138568832
N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-4-amine
CID 168812209

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-phenyl-N-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine (CID 172539722) is N-phenyl-N-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-phenyl-N-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-phenyl-N-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine is c1ccc(N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5c3ccc3ccccc53)c3ccccc3-4)cc2)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of N-phenyl-N-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine?
The InChIKey is UXZMIGAAJDRVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33NOS/c1-2-14-37(15-3-1)54(48-22-12-19-43-42-18-7-11-24-50(42)56-52(43)48)38-29-25-34(26-30-38)36-27-31-41-40-17-6-8-20-44(40)53(47(41)33-36)45-21-9-10-23-49(45)55-51-39-16-5-4-13-35(39)28-32-46(51)53/h1-33H.
What are the key properties of N-phenyl-N-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine?
N-phenyl-N-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine has a molecular weight of 731.92 g/mol, XLogP of 14.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 172539722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).