N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine

C56H37NOS — CID 156563559

IUPACN-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccc5ccccc5c3-4)c3ccc4c(c3)sc3ccccc34)cc21
InChIInChI=1S/C56H37NOS/c1-55(2)44-17-7-5-15-39(44)40-27-24-35(31-48(40)55)57(37-25-28-42-41-16-6-12-22-52(41)59-53(42)33-37)36-26-29-43-49(32-36)56(47-30-23-34-13-3-4-14-38(34)54(43)47)45-18-8-10-20-50(45)58-51-21-11-9-19-46(51)56/h3-33H,1-2H3
InChIKeyBEJPGSHQIASZDU-UHFFFAOYSA-N
MW771.99 g/mol
LogP15.45
Rot. Bonds3

About N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine

N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine (PubChem CID 156563559) has the molecular formula C56H37NOS and a molecular weight of 771.99 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
PubChem CID156563559
Molecular FormulaC56H37NOS
Molecular Weight771.99 g/mol
Exact Mass771.26
IUPAC NameN-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccc5ccccc5c3-4)c3ccc4c(c3)sc3ccccc34)cc21
InChIInChI=1S/C56H37NOS/c1-55(2)44-17-7-5-15-39(44)40-27-24-35(31-48(40)55)57(37-25-28-42-41-16-6-12-22-52(41)59-53(42)33-37)36-26-29-43-49(32-36)56(47-30-23-34-13-3-4-14-38(34)54(43)47)45-18-8-10-20-50(45)58-51-21-11-9-19-46(51)56/h3-33H,1-2H3
InChIKeyBEJPGSHQIASZDU-UHFFFAOYSA-N
XLogP15.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.99
LogP ≤ 515.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 90154222
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 164730839
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
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193943
N-dibenzothiophen-3-yl-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-xanthene]-9-amine
CID 164794694
N-(9,9-dimethylfluoren-3-yl)-N-(6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)dibenzothiophen-3-amine
CID 177100291
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]-10'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
CID 130463448
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 138476405
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-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 165158535
N-(4-chrysen-6-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-amine
CID 170675872
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzothiophen-3-amine
CID 142480678

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine (CID 156563559) is N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccc5ccccc5c3-4)c3ccc4c(c3)sc3ccccc34)cc21.
What is the InChIKey of N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine?
The InChIKey is BEJPGSHQIASZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NOS/c1-55(2)44-17-7-5-15-39(44)40-27-24-35(31-48(40)55)57(37-25-28-42-41-16-6-12-22-52(41)59-53(42)33-37)36-26-29-43-49(32-36)56(47-30-23-34-13-3-4-14-38(34)54(43)47)45-18-8-10-20-50(45)58-51-21-11-9-19-46(51)56/h3-33H,1-2H3.
What are the key properties of N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine?
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine has a molecular weight of 771.99 g/mol, XLogP of 15.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine is sourced from PubChem (CID 156563559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).