N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-4'-amine

C52H37NS — CID 167176354

IUPACN-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-4'-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(N(c4ccccc4)c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cccc32)c2ccccc21
InChIInChI=1S/C52H37NS/c1-51(2)42-20-9-11-22-44(42)52(45-23-12-10-21-43(45)51)41-19-8-6-18-39(41)50-46(52)24-14-25-47(50)53(36-15-4-3-5-16-36)37-30-27-34(28-31-37)35-29-32-49-40(33-35)38-17-7-13-26-48(38)54-49/h3-33H,1-2H3
InChIKeyGBLOPLIINDNBHK-UHFFFAOYSA-N
MW707.94 g/mol
LogP14.19
Rot. Bonds4

About N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-4'-amine

N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-4'-amine (PubChem CID 167176354) has the molecular formula C52H37NS and a molecular weight of 707.94 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-4'-amine
PubChem CID167176354
Molecular FormulaC52H37NS
Molecular Weight707.94 g/mol
Exact Mass707.26
IUPAC NameN-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-4'-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(N(c4ccccc4)c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cccc32)c2ccccc21
InChIInChI=1S/C52H37NS/c1-51(2)42-20-9-11-22-44(42)52(45-23-12-10-21-43(45)51)41-19-8-6-18-39(41)50-46(52)24-14-25-47(50)53(36-15-4-3-5-16-36)37-30-27-34(28-31-37)35-29-32-49-40(33-35)38-17-7-13-26-48(38)54-49/h3-33H,1-2H3
InChIKeyGBLOPLIINDNBHK-UHFFFAOYSA-N
XLogP14.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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 N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-4'-amine with MolForge

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Related Compounds

N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424565
7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-4-amine
CID 118193710
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167177911
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308860
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481112
2-N'-dibenzothiophen-2-yl-2-N',4-N,4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915452
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424362
N-(2-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 166663845
N-(4-dibenzothiophen-1-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 126538536
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424569
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424451

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-4'-amine?
The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-4'-amine (CID 167176354) is N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-4'-amine.
What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-4'-amine?
The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-4'-amine is CC1(C)c2ccccc2C2(c3ccccc3-c3c(N(c4ccccc4)c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cccc32)c2ccccc21.
What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-4'-amine?
The InChIKey is GBLOPLIINDNBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37NS/c1-51(2)42-20-9-11-22-44(42)52(45-23-12-10-21-43(45)51)41-19-8-6-18-39(41)50-46(52)24-14-25-47(50)53(36-15-4-3-5-16-36)37-30-27-34(28-31-37)35-29-32-49-40(33-35)38-17-7-13-26-48(38)54-49/h3-33H,1-2H3.
What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-4'-amine?
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-4'-amine has a molecular weight of 707.94 g/mol, XLogP of 14.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-4'-amine is sourced from PubChem (CID 167176354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).