N-(9,9-dimethylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine

C51H37NS — CID 168790195

IUPACN-(9,9-dimethylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)sc3ccccc34)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C51H37NS/c1-51(2)45-25-13-11-21-40(45)44-32-36(29-31-46(44)51)52(37-28-30-42-41-22-12-14-27-48(41)53-49(42)33-37)47-26-15-24-39(35-18-7-4-8-19-35)50(47)43-23-10-9-20-38(43)34-16-5-3-6-17-34/h3-33H,1-2H3
InChIKeyLSTCRRNWEKWDBX-UHFFFAOYSA-N
MW695.93 g/mol
LogP14.83
Rot. Bonds6

About N-(9,9-dimethylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine

N-(9,9-dimethylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine (PubChem CID 168790195) has the molecular formula C51H37NS and a molecular weight of 695.93 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
PubChem CID168790195
Molecular FormulaC51H37NS
Molecular Weight695.93 g/mol
Exact Mass695.26
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)sc3ccccc34)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C51H37NS/c1-51(2)45-25-13-11-21-40(45)44-32-36(29-31-46(44)51)52(37-28-30-42-41-22-12-14-27-48(41)53-49(42)33-37)47-26-15-24-39(35-18-7-4-8-19-35)50(47)43-23-10-9-20-38(43)34-16-5-3-6-17-34/h3-33H,1-2H3
InChIKeyLSTCRRNWEKWDBX-UHFFFAOYSA-N
XLogP14.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.93
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine with MolForge

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Related Compounds

N-(2-dibenzothiophen-3-yl-3-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 170666062
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 168788697
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-4-amine
CID 170044692
N-[2-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 169039618
9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168790837
N-(4-dibenzothiophen-3-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168790542
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-4-amine
CID 168840172
N-(11,11-dimethylbenzo[b]fluoren-9-yl)-N-phenyldibenzothiophen-3-amine
CID 156554191
N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 170119312
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 177274801
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-amine
CID 176583109
N-chrysen-4-yl-N-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-amine
CID 170140047

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine (CID 168790195) is N-(9,9-dimethylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)sc3ccccc34)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine?
The InChIKey is LSTCRRNWEKWDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NS/c1-51(2)45-25-13-11-21-40(45)44-32-36(29-31-46(44)51)52(37-28-30-42-41-22-12-14-27-48(41)53-49(42)33-37)47-26-15-24-39(35-18-7-4-8-19-35)50(47)43-23-10-9-20-38(43)34-16-5-3-6-17-34/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine?
N-(9,9-dimethylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine has a molecular weight of 695.93 g/mol, XLogP of 14.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 168790195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).