2-dibenzothiophen-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylaniline

C45H33NS — CID 170140456

IUPAC2-dibenzothiophen-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylaniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3)c3ccccc3-c3ccc4c(c3)sc3ccccc34)cccc21
InChIInChI=1S/C45H33NS/c1-45(2)38-22-10-6-20-37(38)44-36(21-14-23-39(44)45)33-18-8-12-25-41(33)46(31-15-4-3-5-16-31)40-24-11-7-17-32(40)30-27-28-35-34-19-9-13-26-42(34)47-43(35)29-30/h3-29H,1-2H3
InChIKeyGATDVGYENWOEAS-UHFFFAOYSA-N
MW619.83 g/mol
LogP13.16
Rot. Bonds5

About 2-dibenzothiophen-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylaniline

2-dibenzothiophen-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylaniline (PubChem CID 170140456) has the molecular formula C45H33NS and a molecular weight of 619.83 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylaniline.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylaniline
PubChem CID170140456
Molecular FormulaC45H33NS
Molecular Weight619.83 g/mol
Exact Mass619.23
IUPAC Name2-dibenzothiophen-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylaniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3)c3ccccc3-c3ccc4c(c3)sc3ccccc34)cccc21
InChIInChI=1S/C45H33NS/c1-45(2)38-22-10-6-20-37(38)44-36(21-14-23-39(44)45)33-18-8-12-25-41(33)46(31-15-4-3-5-16-31)40-24-11-7-17-32(40)30-27-28-35-34-19-9-13-26-42(34)47-43(35)29-30/h3-29H,1-2H3
InChIKeyGATDVGYENWOEAS-UHFFFAOYSA-N
XLogP13.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.83
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170140442
N-(2-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170143251
N-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 139568036
N-[2-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 169039618
N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-1-amine
CID 170143113
2-dibenzothiophen-3-yl-N-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 168839739
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-4-amine
CID 168840172
2-dibenzothiophen-3-yl-N-[3-(9,9-dimethyl-5,7-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839721
9-dibenzofuran-2-yl-N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylfluoren-2-amine
CID 170140717
N-(3-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 170143058
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 170141581
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]fluoren-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
CID 162216523

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylaniline?
The IUPAC name of 2-dibenzothiophen-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylaniline (CID 170140456) is 2-dibenzothiophen-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylaniline.
What is the SMILES notation for 2-dibenzothiophen-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylaniline?
The canonical SMILES for 2-dibenzothiophen-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylaniline is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3)c3ccccc3-c3ccc4c(c3)sc3ccccc34)cccc21.
What is the InChIKey of 2-dibenzothiophen-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylaniline?
The InChIKey is GATDVGYENWOEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33NS/c1-45(2)38-22-10-6-20-37(38)44-36(21-14-23-39(44)45)33-18-8-12-25-41(33)46(31-15-4-3-5-16-31)40-24-11-7-17-32(40)30-27-28-35-34-19-9-13-26-42(34)47-43(35)29-30/h3-29H,1-2H3.
What are the key properties of 2-dibenzothiophen-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylaniline?
2-dibenzothiophen-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylaniline has a molecular weight of 619.83 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylaniline is sourced from PubChem (CID 170140456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).