N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine

C43H31NS — CID 172544925

IUPACN-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3sc3ccccc34)cccc21
InChIInChI=1S/C43H31NS/c1-43(2)36-16-7-5-14-35(36)41-37(43)17-10-18-38(41)44(39-19-9-15-34-33-13-6-8-20-40(33)45-42(34)39)32-25-23-29(24-26-32)31-22-21-28-11-3-4-12-30(28)27-31/h3-27H,1-2H3
InChIKeyJRVAGMKDUGMLNS-UHFFFAOYSA-N
MW593.80 g/mol
LogP12.65
Rot. Bonds4

About N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine

N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine (PubChem CID 172544925) has the molecular formula C43H31NS and a molecular weight of 593.80 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine
PubChem CID172544925
Molecular FormulaC43H31NS
Molecular Weight593.80 g/mol
Exact Mass593.22
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3sc3ccccc34)cccc21
InChIInChI=1S/C43H31NS/c1-43(2)36-16-7-5-14-35(36)41-37(43)17-10-18-38(41)44(39-19-9-15-34-33-13-6-8-20-40(33)45-42(34)39)32-25-23-29(24-26-32)31-22-21-28-11-3-4-12-30(28)27-31/h3-27H,1-2H3
InChIKeyJRVAGMKDUGMLNS-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-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177114078
N-(9,9-dimethylfluoren-4-yl)-N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177113932
N-(9,9-dimethylfluoren-2-yl)-N-(7,7-dimethyl-9-naphthalen-2-ylbenzo[a]phenalen-1-yl)dibenzothiophen-4-amine
CID 167232236
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
CID 177113961
N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-2-ylphenyl)-8-phenyldibenzothiophen-4-amine
CID 172544754
N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177114184
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169020471
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 169020370
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]fluoren-4-amine
CID 169019982
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)fluoren-4-amine
CID 170043131
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168789139
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 129085176

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine (CID 172544925) is N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3sc3ccccc34)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine?
The InChIKey is JRVAGMKDUGMLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31NS/c1-43(2)36-16-7-5-14-35(36)41-37(43)17-10-18-38(41)44(39-19-9-15-34-33-13-6-8-20-40(33)45-42(34)39)32-25-23-29(24-26-32)31-22-21-28-11-3-4-12-30(28)27-31/h3-27H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine?
N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-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-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 172544925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).