N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine

C39H29NS — CID 129085176

IUPACN-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc3)ccc21
InChIInChI=1S/C39H29NS/c1-39(2)34-16-8-6-13-30(34)33-25-27(21-24-35(33)39)26-19-22-29(23-20-26)40(28-11-4-3-5-12-28)36-17-10-15-32-31-14-7-9-18-37(31)41-38(32)36/h3-25H,1-2H3
InChIKeyGYWYODQJVVWIFV-UHFFFAOYSA-N
MW543.74 g/mol
LogP11.50
Rot. Bonds4

About N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine

N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine (PubChem CID 129085176) has the molecular formula C39H29NS and a molecular weight of 543.74 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
PubChem CID129085176
Molecular FormulaC39H29NS
Molecular Weight543.74 g/mol
Exact Mass543.20
IUPAC NameN-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc3)ccc21
InChIInChI=1S/C39H29NS/c1-39(2)34-16-8-6-13-30(34)33-25-27(21-24-35(33)39)26-19-22-29(23-20-26)40(28-11-4-3-5-12-28)36-17-10-15-32-31-14-7-9-18-37(31)41-38(32)36/h3-25H,1-2H3
InChIKeyGYWYODQJVVWIFV-UHFFFAOYSA-N
XLogP11.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.74
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-dibenzothiophen-4-yl-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-4-amine
CID 126702771
N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839664
N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine
CID 167197274
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline
CID 168839480
N-[4-(4-phenylphenyl)phenyl]-N-(6,6,12,12-tetramethyl-10-phenylindeno[1,2-b]fluoren-2-yl)dibenzothiophen-4-amine
CID 138455824
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-4-amine
CID 168840172
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 118193740
7-bromo-N-(9,9-dimethylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine
CID 129194645
N-(2-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176987143
N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine
CID 172544925
2-dibenzothiophen-3-yl-N-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 168839739
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177114078

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine (CID 129085176) is N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine is CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc3)ccc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine?
The InChIKey is GYWYODQJVVWIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29NS/c1-39(2)34-16-8-6-13-30(34)33-25-27(21-24-35(33)39)26-19-22-29(23-20-26)40(28-11-4-3-5-12-28)36-17-10-15-32-31-14-7-9-18-37(31)41-38(32)36/h3-25H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine?
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine has a molecular weight of 543.74 g/mol, XLogP of 11.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 129085176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).