N-(2-dibenzothiophen-3-ylnaphthalen-1-yl)-9,9-dimethylfluoren-3-amine

C37H27NS — CID 164774487

IUPACN-(2-dibenzothiophen-3-ylnaphthalen-1-yl)-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(Nc3c(-c4ccc5c(c4)sc4ccccc45)ccc4ccccc34)ccc21
InChIInChI=1S/C37H27NS/c1-37(2)32-13-7-5-11-28(32)31-22-25(17-20-33(31)37)38-36-26-10-4-3-9-23(26)15-18-27(36)24-16-19-30-29-12-6-8-14-34(29)39-35(30)21-24/h3-22,38H,1-2H3
InChIKeyYSQVYGVTYGLZQT-UHFFFAOYSA-N
MW517.70 g/mol
LogP10.92
Rot. Bonds3

About N-(2-dibenzothiophen-3-ylnaphthalen-1-yl)-9,9-dimethylfluoren-3-amine

N-(2-dibenzothiophen-3-ylnaphthalen-1-yl)-9,9-dimethylfluoren-3-amine (PubChem CID 164774487) has the molecular formula C37H27NS and a molecular weight of 517.70 g/mol. Its IUPAC name is N-(2-dibenzothiophen-3-ylnaphthalen-1-yl)-9,9-dimethylfluoren-3-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-3-ylnaphthalen-1-yl)-9,9-dimethylfluoren-3-amine
PubChem CID164774487
Molecular FormulaC37H27NS
Molecular Weight517.70 g/mol
Exact Mass517.19
IUPAC NameN-(2-dibenzothiophen-3-ylnaphthalen-1-yl)-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(Nc3c(-c4ccc5c(c4)sc4ccccc45)ccc4ccccc34)ccc21
InChIInChI=1S/C37H27NS/c1-37(2)32-13-7-5-11-28(32)31-22-25(17-20-33(31)37)38-36-26-10-4-3-9-23(26)15-18-27(36)24-16-19-30-29-12-6-8-14-34(29)39-35(30)21-24/h3-22,38H,1-2H3
InChIKeyYSQVYGVTYGLZQT-UHFFFAOYSA-N
XLogP10.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.70
LogP ≤ 510.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 134387503
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-3-amine
CID 167230911
2-dibenzothiophen-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 176587952
9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-2-amine
CID 177121851
4-dibenzothiophen-3-yl-2-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(4-phenylphenyl)pyrimidine
CID 168777570
N-(9,9-dimethylfluoren-3-yl)-N-(6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)dibenzothiophen-3-amine
CID 177100291
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839548
14,14-dimethyl-6-(6-naphthalen-1-ylpyren-1-yl)-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 169035220
N-(9,9-dimethylfluoren-3-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 118360806
3-(9,9-dimethylfluoren-2-yl)-7-naphthalen-1-yldibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yldibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-phenyldibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-(2-phenylphenyl)dibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-(3-phenylphenyl)dibenzothiophene;3-(9,9-dimethylfluoren-2-yl)-7-(4-phenylphenyl)dibenzothiophene
CID 157076089
4-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline
CID 177121677
3-[1-[2,5-bis(9,9-dimethylfluoren-3-yl)phenyl]ethyl]dibenzothiophene
CID 145377675

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-3-ylnaphthalen-1-yl)-9,9-dimethylfluoren-3-amine?
The IUPAC name of N-(2-dibenzothiophen-3-ylnaphthalen-1-yl)-9,9-dimethylfluoren-3-amine (CID 164774487) is N-(2-dibenzothiophen-3-ylnaphthalen-1-yl)-9,9-dimethylfluoren-3-amine.
What is the SMILES notation for N-(2-dibenzothiophen-3-ylnaphthalen-1-yl)-9,9-dimethylfluoren-3-amine?
The canonical SMILES for N-(2-dibenzothiophen-3-ylnaphthalen-1-yl)-9,9-dimethylfluoren-3-amine is CC1(C)c2ccccc2-c2cc(Nc3c(-c4ccc5c(c4)sc4ccccc45)ccc4ccccc34)ccc21.
What is the InChIKey of N-(2-dibenzothiophen-3-ylnaphthalen-1-yl)-9,9-dimethylfluoren-3-amine?
The InChIKey is YSQVYGVTYGLZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NS/c1-37(2)32-13-7-5-11-28(32)31-22-25(17-20-33(31)37)38-36-26-10-4-3-9-23(26)15-18-27(36)24-16-19-30-29-12-6-8-14-34(29)39-35(30)21-24/h3-22,38H,1-2H3.
What are the key properties of N-(2-dibenzothiophen-3-ylnaphthalen-1-yl)-9,9-dimethylfluoren-3-amine?
N-(2-dibenzothiophen-3-ylnaphthalen-1-yl)-9,9-dimethylfluoren-3-amine has a molecular weight of 517.70 g/mol, XLogP of 10.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-3-ylnaphthalen-1-yl)-9,9-dimethylfluoren-3-amine is sourced from PubChem (CID 164774487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).