N-dibenzothiophen-3-yl-5,5-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine

C50H37NS2 — CID 167285469

IUPACN-dibenzothiophen-3-yl-5,5-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
SMILESCS1(C)c2ccccc2-c2c(N(c3ccc4c(c3)sc3ccccc34)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cccc21
InChIInChI=1S/C50H37NS2/c1-53(2)47-29-14-12-24-42(47)50-44(27-16-30-48(50)53)51(36-31-32-40-39-22-11-13-28-45(39)52-46(40)33-36)43-26-15-25-38(35-19-7-4-8-20-35)49(43)41-23-10-9-21-37(41)34-17-5-3-6-18-34/h3-33H,1-2H3
InChIKeyVKFGUOCBYCTPMT-UHFFFAOYSA-N
MW715.99 g/mol
LogP14.99
Rot. Bonds6

About N-dibenzothiophen-3-yl-5,5-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine

N-dibenzothiophen-3-yl-5,5-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine (PubChem CID 167285469) has the molecular formula C50H37NS2 and a molecular weight of 715.99 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-5,5-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-5,5-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
PubChem CID167285469
Molecular FormulaC50H37NS2
Molecular Weight715.99 g/mol
Exact Mass715.24
IUPAC NameN-dibenzothiophen-3-yl-5,5-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
SMILESCS1(C)c2ccccc2-c2c(N(c3ccc4c(c3)sc3ccccc34)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cccc21
InChIInChI=1S/C50H37NS2/c1-53(2)47-29-14-12-24-42(47)50-44(27-16-30-48(50)53)51(36-31-32-40-39-22-11-13-28-45(39)52-46(40)33-36)43-26-15-25-38(35-19-7-4-8-20-35)49(43)41-23-10-9-21-37(41)34-17-5-3-6-18-34/h3-33H,1-2H3
InChIKeyVKFGUOCBYCTPMT-UHFFFAOYSA-N
XLogP14.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.99
LogP ≤ 514.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 168790195
N-dibenzothiophen-3-yl-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 167285475
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168789864
N-(2-phenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-3-amine
CID 138493702
N-phenyl-N-[3-phenyl-2-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 167293295
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168790075
N-naphthalen-2-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 168788625
N-(4-dibenzothiophen-3-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168790885
N-(4-dibenzothiophen-1-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168790141
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168790748
N-(4-dibenzothiophen-3-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168790542
N-(3-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502469

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-5,5-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-dibenzothiophen-3-yl-5,5-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine (CID 167285469) is N-dibenzothiophen-3-yl-5,5-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-5,5-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-5,5-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine is CS1(C)c2ccccc2-c2c(N(c3ccc4c(c3)sc3ccccc34)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cccc21.
What is the InChIKey of N-dibenzothiophen-3-yl-5,5-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The InChIKey is VKFGUOCBYCTPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37NS2/c1-53(2)47-29-14-12-24-42(47)50-44(27-16-30-48(50)53)51(36-31-32-40-39-22-11-13-28-45(39)52-46(40)33-36)43-26-15-25-38(35-19-7-4-8-20-35)49(43)41-23-10-9-21-37(41)34-17-5-3-6-18-34/h3-33H,1-2H3.
What are the key properties of N-dibenzothiophen-3-yl-5,5-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine?
N-dibenzothiophen-3-yl-5,5-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine has a molecular weight of 715.99 g/mol, XLogP of 14.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-5,5-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 167285469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).