N-(9,9-dimethylfluoren-2-yl)-N-(3-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine

C53H37NS — CID 177274801

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(3-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3cccc(-c4cc5ccccc5c5ccccc45)c3-c3ccccc3)cc21
InChIInChI=1S/C53H37NS/c1-53(2)47-24-12-10-21-41(47)42-29-27-36(32-48(42)53)54(37-28-30-44-43-22-11-13-26-50(43)55-51(44)33-37)49-25-14-23-45(52(49)34-15-4-3-5-16-34)46-31-35-17-6-7-18-38(35)39-19-8-9-20-40(39)46/h3-33H,1-2H3
InChIKeyKEVIUHWPUACZTI-UHFFFAOYSA-N
MW719.95 g/mol
LogP15.47
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-N-(3-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-(3-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 177274801) has the molecular formula C53H37NS and a molecular weight of 719.95 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(3-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(3-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine
PubChem CID177274801
Molecular FormulaC53H37NS
Molecular Weight719.95 g/mol
Exact Mass719.26
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(3-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3cccc(-c4cc5ccccc5c5ccccc45)c3-c3ccccc3)cc21
InChIInChI=1S/C53H37NS/c1-53(2)47-24-12-10-21-41(47)42-29-27-36(32-48(42)53)54(37-28-30-44-43-22-11-13-26-50(43)55-51(44)33-37)49-25-14-23-45(52(49)34-15-4-3-5-16-34)46-31-35-17-6-7-18-38(35)39-19-8-9-20-40(39)46/h3-33H,1-2H3
InChIKeyKEVIUHWPUACZTI-UHFFFAOYSA-N
XLogP15.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.95
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(11,11-dimethylbenzo[b]fluoren-9-yl)-N-phenyldibenzothiophen-3-amine
CID 156554191
N-chrysen-2-yl-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-3-amine
CID 170139933
9,9-dimethyl-N-[3-phenanthren-1-yl-2-(4-phenylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 177274610
11,11-dimethyl-N-(3-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)benzo[b]fluoren-2-amine
CID 177274467
9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenanthren-9-yl-2-phenylphenyl)fluoren-2-amine
CID 177274844
N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine
CID 155220976
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yldibenzofuran-2-amine
CID 177280608
9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-[3-phenanthren-9-yl-2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 177274581
N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine
CID 134464879
N-(2-dibenzothiophen-3-yl-3-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 170666062
9,9-dimethyl-N-(3-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167293406
N-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293330

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(3-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(3-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine (CID 177274801) is N-(9,9-dimethylfluoren-2-yl)-N-(3-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(3-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(3-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3cccc(-c4cc5ccccc5c5ccccc45)c3-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(3-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is KEVIUHWPUACZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NS/c1-53(2)47-24-12-10-21-41(47)42-29-27-36(32-48(42)53)54(37-28-30-44-43-22-11-13-26-50(43)55-51(44)33-37)49-25-14-23-45(52(49)34-15-4-3-5-16-34)46-31-35-17-6-7-18-38(35)39-19-8-9-20-40(39)46/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(3-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 719.95 g/mol, XLogP of 15.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(3-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 177274801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).