N-(4-dibenzothiophen-1-ylphenyl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine

C43H31NS — CID 164929371

IUPACN-(4-dibenzothiophen-1-ylphenyl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc(-c4cccc5sc6ccccc6c45)cc3)cc3ccccc3c21
InChIInChI=1S/C43H31NS/c1-43(2)36-20-10-8-17-34(36)41-37(27-29-13-6-7-16-33(29)42(41)43)44(30-14-4-3-5-15-30)31-25-23-28(24-26-31)32-19-12-22-39-40(32)35-18-9-11-21-38(35)45-39/h3-27H,1-2H3
InChIKeyRGFFUXIBRWLCOF-UHFFFAOYSA-N
MW593.80 g/mol
LogP12.65
Rot. Bonds4

About N-(4-dibenzothiophen-1-ylphenyl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine

N-(4-dibenzothiophen-1-ylphenyl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine (PubChem CID 164929371) has the molecular formula C43H31NS and a molecular weight of 593.80 g/mol. Its IUPAC name is N-(4-dibenzothiophen-1-ylphenyl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-1-ylphenyl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine
PubChem CID164929371
Molecular FormulaC43H31NS
Molecular Weight593.80 g/mol
Exact Mass593.22
IUPAC NameN-(4-dibenzothiophen-1-ylphenyl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc(-c4cccc5sc6ccccc6c45)cc3)cc3ccccc3c21
InChIInChI=1S/C43H31NS/c1-43(2)36-20-10-8-17-34(36)41-37(27-29-13-6-7-16-33(29)42(41)43)44(30-14-4-3-5-15-30)31-25-23-28(24-26-31)32-19-12-22-39-40(32)35-18-9-11-21-38(35)45-39/h3-27H,1-2H3
InChIKeyRGFFUXIBRWLCOF-UHFFFAOYSA-N
XLogP12.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.80
LogP ≤ 512.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-6-amine
CID 164929149
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine
CID 164929320
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929236
N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929438
11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine
CID 164929259
N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839664
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 170412674
N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-(4-phenanthren-9-ylphenyl)benzo[a]fluoren-6-amine
CID 164929229
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-11,11-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]fluoren-6-amine
CID 164929576
N-(3,5-diphenylphenyl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzothiol-1-ylphenyl)fluoren-4-amine
CID 168807524
N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-(9,9,10,10-tetramethylphenanthren-2-yl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine
CID 163449904
N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-2-amine
CID 170412884

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine?
The IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine (CID 164929371) is N-(4-dibenzothiophen-1-ylphenyl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine.
What is the SMILES notation for N-(4-dibenzothiophen-1-ylphenyl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine?
The canonical SMILES for N-(4-dibenzothiophen-1-ylphenyl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine is CC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc(-c4cccc5sc6ccccc6c45)cc3)cc3ccccc3c21.
What is the InChIKey of N-(4-dibenzothiophen-1-ylphenyl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine?
The InChIKey is RGFFUXIBRWLCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31NS/c1-43(2)36-20-10-8-17-34(36)41-37(27-29-13-6-7-16-33(29)42(41)43)44(30-14-4-3-5-15-30)31-25-23-28(24-26-31)32-19-12-22-39-40(32)35-18-9-11-21-38(35)45-39/h3-27H,1-2H3.
What are the key properties of N-(4-dibenzothiophen-1-ylphenyl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine?
N-(4-dibenzothiophen-1-ylphenyl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine has a molecular weight of 593.80 g/mol, XLogP of 12.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-1-ylphenyl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine is sourced from PubChem (CID 164929371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).