9-dibenzothiophen-2-yl-6,6-dimethyl-N,N,14,14-tetraphenyltetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaen-3-amine

C52H37NS — CID 163974770

IUPAC9-dibenzothiophen-2-yl-6,6-dimethyl-N,N,14,14-tetraphenyltetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaen-3-amine
SMILESCC1(C)c2cc(-c3ccc4sc5ccccc5c4c3)cc3c2-c2c1cc(N(c1ccccc1)c1ccccc1)cc2C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C52H37NS/c1-51(2)43-30-35(34-27-28-48-42(29-34)41-25-15-16-26-47(41)54-48)31-45-49(43)50-44(51)32-40(53(38-21-11-5-12-22-38)39-23-13-6-14-24-39)33-46(50)52(45,36-17-7-3-8-18-36)37-19-9-4-10-20-37/h3-33H,1-2H3
InChIKeySTDLQNNRMMYFAS-UHFFFAOYSA-N
MW707.94 g/mol
LogP14.19
Rot. Bonds6

About 9-dibenzothiophen-2-yl-6,6-dimethyl-N,N,14,14-tetraphenyltetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaen-3-amine

9-dibenzothiophen-2-yl-6,6-dimethyl-N,N,14,14-tetraphenyltetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaen-3-amine (PubChem CID 163974770) has the molecular formula C52H37NS and a molecular weight of 707.94 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-6,6-dimethyl-N,N,14,14-tetraphenyltetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaen-3-amine.

Molecular Properties

Compound Name9-dibenzothiophen-2-yl-6,6-dimethyl-N,N,14,14-tetraphenyltetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaen-3-amine
PubChem CID163974770
Molecular FormulaC52H37NS
Molecular Weight707.94 g/mol
Exact Mass707.26
IUPAC Name9-dibenzothiophen-2-yl-6,6-dimethyl-N,N,14,14-tetraphenyltetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaen-3-amine
SMILESCC1(C)c2cc(-c3ccc4sc5ccccc5c4c3)cc3c2-c2c1cc(N(c1ccccc1)c1ccccc1)cc2C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C52H37NS/c1-51(2)43-30-35(34-27-28-48-42(29-34)41-25-15-16-26-47(41)54-48)31-45-49(43)50-44(51)32-40(53(38-21-11-5-12-22-38)39-23-13-6-14-24-39)33-46(50)52(45,36-17-7-3-8-18-36)37-19-9-4-10-20-37/h3-33H,1-2H3
InChIKeySTDLQNNRMMYFAS-UHFFFAOYSA-N
XLogP14.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.94
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-dibenzothiophen-2-yl-6,6-dimethyl-N,N,14,14-tetraphenyltetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaen-3-amine with MolForge

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Related Compounds

9-dibenzothiophen-4-yl-6,6-dimethyl-N,N,14,14-tetraphenyltetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaen-3-amine
CID 163982585
7-dibenzothiophen-2-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90261927
N-[7-(3,5-dichlorophenyl)-9,9-dimethylfluoren-2-yl]-N-phenyldibenzothiophen-2-amine
CID 146588933
3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-5-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]benzene-1,3-diamine;N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine;N-(9,9-dimethylfluoren-2-yl)-7-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine
CID 163582431
N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 67964495
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-N,N-diphenylaniline
CID 121383193
N-(9-dibenzothiophen-2-yl-9-phenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593365
N-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383196
1-N,5-di(dibenzothiophen-2-yl)-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 161015507
N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-9-phenylfluoren-2-amine
CID 171453606
2-(9-diphenylphosphoryl-6,6,14,14-tetramethyl-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)dibenzothiophene
CID 163943739
1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine
CID 122634190

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-6,6-dimethyl-N,N,14,14-tetraphenyltetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaen-3-amine?
The IUPAC name of 9-dibenzothiophen-2-yl-6,6-dimethyl-N,N,14,14-tetraphenyltetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaen-3-amine (CID 163974770) is 9-dibenzothiophen-2-yl-6,6-dimethyl-N,N,14,14-tetraphenyltetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaen-3-amine.
What is the SMILES notation for 9-dibenzothiophen-2-yl-6,6-dimethyl-N,N,14,14-tetraphenyltetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaen-3-amine?
The canonical SMILES for 9-dibenzothiophen-2-yl-6,6-dimethyl-N,N,14,14-tetraphenyltetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaen-3-amine is CC1(C)c2cc(-c3ccc4sc5ccccc5c4c3)cc3c2-c2c1cc(N(c1ccccc1)c1ccccc1)cc2C3(c1ccccc1)c1ccccc1.
What is the InChIKey of 9-dibenzothiophen-2-yl-6,6-dimethyl-N,N,14,14-tetraphenyltetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaen-3-amine?
The InChIKey is STDLQNNRMMYFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37NS/c1-51(2)43-30-35(34-27-28-48-42(29-34)41-25-15-16-26-47(41)54-48)31-45-49(43)50-44(51)32-40(53(38-21-11-5-12-22-38)39-23-13-6-14-24-39)33-46(50)52(45,36-17-7-3-8-18-36)37-19-9-4-10-20-37/h3-33H,1-2H3.
What are the key properties of 9-dibenzothiophen-2-yl-6,6-dimethyl-N,N,14,14-tetraphenyltetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaen-3-amine?
9-dibenzothiophen-2-yl-6,6-dimethyl-N,N,14,14-tetraphenyltetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaen-3-amine has a molecular weight of 707.94 g/mol, XLogP of 14.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-2-yl-6,6-dimethyl-N,N,14,14-tetraphenyltetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaen-3-amine is sourced from PubChem (CID 163974770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).