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

C52H37NS — CID 163982585

IUPAC9-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
SMILESCC1(C)c2cc(-c3cccc4c3sc3ccccc34)cc3c2-c2c1cc(N(c1ccccc1)c1ccccc1)cc2C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C52H37NS/c1-51(2)43-30-34(40-27-17-28-42-41-26-15-16-29-47(41)54-50(40)42)31-45-48(43)49-44(51)32-39(53(37-22-11-5-12-23-37)38-24-13-6-14-25-38)33-46(49)52(45,35-18-7-3-8-19-35)36-20-9-4-10-21-36/h3-33H,1-2H3
InChIKeySZRNJXCTHBXOLG-UHFFFAOYSA-N
MW707.94 g/mol
LogP14.19
Rot. Bonds6

About 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

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 (PubChem CID 163982585) has the molecular formula C52H37NS and a molecular weight of 707.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID163982585
Molecular FormulaC52H37NS
Molecular Weight707.94 g/mol
Exact Mass707.26
IUPAC Name9-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
SMILESCC1(C)c2cc(-c3cccc4c3sc3ccccc34)cc3c2-c2c1cc(N(c1ccccc1)c1ccccc1)cc2C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C52H37NS/c1-51(2)43-30-34(40-27-17-28-42-41-26-15-16-29-47(41)54-50(40)42)31-45-48(43)49-44(51)32-39(53(37-22-11-5-12-23-37)38-24-13-6-14-25-38)33-46(49)52(45,35-18-7-3-8-19-35)36-20-9-4-10-21-36/h3-33H,1-2H3
InChIKeySZRNJXCTHBXOLG-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-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 with MolForge

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Related Compounds

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
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381453
N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 162042014
N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 134487986
N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 118298289
5-dibenzothiophen-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 138519580
3-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-N,N-diphenylaniline
CID 118135154
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964214
N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121323910
N-[4-[9,9-bis(4-dibenzothiophen-4-ylphenyl)fluoren-4-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164769029
2-N,7-N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine;7-dibenzothiophen-4-yl-N-[4-[4-(N-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline;4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 159051141
7-dibenzothiophen-4-yl-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 58113350

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(-c3cccc4c3sc3ccccc34)cc3c2-c2c1cc(N(c1ccccc1)c1ccccc1)cc2C3(c1ccccc1)c1ccccc1.
What is the InChIKey of 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?
The InChIKey is SZRNJXCTHBXOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37NS/c1-51(2)43-30-34(40-27-17-28-42-41-26-15-16-29-47(41)54-50(40)42)31-45-48(43)49-44(51)32-39(53(37-22-11-5-12-23-37)38-24-13-6-14-25-38)33-46(49)52(45,35-18-7-3-8-19-35)36-20-9-4-10-21-36/h3-33H,1-2H3.
What are the key properties of 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?
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 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-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 is sourced from PubChem (CID 163982585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).