N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-3-amine

C58H39NOS — CID 146540690

IUPACN-dibenzothiophen-2-yl-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6sc7ccccc7c6c5)cc4)cc32)c2ccccc21
InChIInChI=1S/C58H39NOS/c1-57(2)48-17-7-9-19-50(48)58(51-20-10-8-18-49(51)57)47-16-6-3-13-41(47)42-30-25-37(33-52(42)58)36-23-26-38(27-24-36)59(39-29-32-56-46(34-39)45-15-5-12-22-55(45)61-56)40-28-31-44-43-14-4-11-21-53(43)60-54(44)35-40/h3-35H,1-2H3
InChIKeyPDZOWKBRLAUNDI-UHFFFAOYSA-N
MW798.02 g/mol
LogP16.09
Rot. Bonds4

About N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-3-amine

N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-3-amine (PubChem CID 146540690) has the molecular formula C58H39NOS and a molecular weight of 798.02 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-3-amine
PubChem CID146540690
Molecular FormulaC58H39NOS
Molecular Weight798.02 g/mol
Exact Mass797.28
IUPAC NameN-dibenzothiophen-2-yl-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6sc7ccccc7c6c5)cc4)cc32)c2ccccc21
InChIInChI=1S/C58H39NOS/c1-57(2)48-17-7-9-19-50(48)58(51-20-10-8-18-49(51)57)47-16-6-3-13-41(47)42-30-25-37(33-52(42)58)36-23-26-38(27-24-36)59(39-29-32-56-46(34-39)45-15-5-12-22-55(45)61-56)40-28-31-44-43-14-4-11-21-53(43)60-54(44)35-40/h3-35H,1-2H3
InChIKeyPDZOWKBRLAUNDI-UHFFFAOYSA-N
XLogP16.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.02
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine
CID 163652161
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine;bis(N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine);N-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 161266358
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 157349441
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-3-amine
CID 130463385
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzothiophen-3-amine
CID 142480678
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yldibenzofuran-3-amine
CID 130463526
N-(9,9-dimethylfluoren-2-yl)-N-(5,5-dimethylspiro[benzo[b][1]benzosiline-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(5,5-dimethylspiro[benzo[b][1]benzosiline-10,9'-fluorene]-2'-yl)dibenzofuran-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(5,5-dimethylspiro[benzo[b][1]benzosiline-10,9'-fluorene]-2'-yl)dibenzothiophen-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(5,5-dimethylspiro[benzo[b][1]benzosiline-10,9'-fluorene]-2'-yl)dibenzothiophen-3-amine
CID 157073410
4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 138667358
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 139404238
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 146247470
N-[4-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 70808654
N-(4-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-amine
CID 171050290

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-3-amine (CID 146540690) is N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-3-amine is CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6sc7ccccc7c6c5)cc4)cc32)c2ccccc21.
What is the InChIKey of N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is PDZOWKBRLAUNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NOS/c1-57(2)48-17-7-9-19-50(48)58(51-20-10-8-18-49(51)57)47-16-6-3-13-41(47)42-30-25-37(33-52(42)58)36-23-26-38(27-24-36)59(39-29-32-56-46(34-39)45-15-5-12-22-55(45)61-56)40-28-31-44-43-14-4-11-21-53(43)60-54(44)35-40/h3-35H,1-2H3.
What are the key properties of N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-3-amine?
N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 798.02 g/mol, XLogP of 16.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 146540690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).