N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine

C39H29NS — CID 167197274

IUPACN-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc4c3sc3ccccc34)cc(-c3ccccc3)c21
InChIInChI=1S/C39H29NS/c1-39(2)34-21-11-9-18-29(34)33-25-28(24-32(37(33)39)26-14-5-3-6-15-26)40(27-16-7-4-8-17-27)35-22-13-20-31-30-19-10-12-23-36(30)41-38(31)35/h3-25H,1-2H3
InChIKeyVBHDSPPZNXPXCP-UHFFFAOYSA-N
MW543.74 g/mol
LogP11.50
Rot. Bonds4

About N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine

N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine (PubChem CID 167197274) has the molecular formula C39H29NS and a molecular weight of 543.74 g/mol. Its IUPAC name is N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine
PubChem CID167197274
Molecular FormulaC39H29NS
Molecular Weight543.74 g/mol
Exact Mass543.20
IUPAC NameN-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc4c3sc3ccccc34)cc(-c3ccccc3)c21
InChIInChI=1S/C39H29NS/c1-39(2)34-21-11-9-18-29(34)33-25-28(24-32(37(33)39)26-14-5-3-6-15-26)40(27-16-7-4-8-17-27)35-22-13-20-31-30-19-10-12-23-36(30)41-38(31)35/h3-25H,1-2H3
InChIKeyVBHDSPPZNXPXCP-UHFFFAOYSA-N
XLogP11.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.74
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 129085176
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 118193740
N-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenyldibenzothiophen-4-amine
CID 90129132
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168790008
2-N'-dibenzothiophen-4-yl-2-N,2-N,2-N',3,3'-pentakis-phenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791741
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168789139
9,9-dimethyl-1-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 167196960
N-[4-(4-phenylphenyl)phenyl]-N-(6,6,12,12-tetramethyl-10-phenylindeno[1,2-b]fluoren-2-yl)dibenzothiophen-4-amine
CID 138455824
N-(3-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 170143058
9,9-dimethyl-N-naphthalen-1-yl-1-phenyl-N-(3-phenylphenyl)fluoren-3-amine
CID 167197290
N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121323910
N-[4-[5-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 167143477

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine?
The IUPAC name of N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine (CID 167197274) is N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine.
What is the SMILES notation for N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine?
The canonical SMILES for N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc4c3sc3ccccc34)cc(-c3ccccc3)c21.
What is the InChIKey of N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine?
The InChIKey is VBHDSPPZNXPXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29NS/c1-39(2)34-21-11-9-18-29(34)33-25-28(24-32(37(33)39)26-14-5-3-6-15-26)40(27-16-7-4-8-17-27)35-22-13-20-31-30-19-10-12-23-36(30)41-38(31)35/h3-25H,1-2H3.
What are the key properties of N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine?
N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine has a molecular weight of 543.74 g/mol, XLogP of 11.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 167197274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).