N-(11,11-dimethylbenzo[b]fluoren-9-yl)-N-phenyldibenzothiophen-3-amine

C37H27NS — CID 156554191

IUPACN-(11,11-dimethylbenzo[b]fluoren-9-yl)-N-phenyldibenzothiophen-3-amine
SMILESCC1(C)c2ccccc2-c2cc3cccc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)c3cc21
InChIInChI=1S/C37H27NS/c1-37(2)32-16-8-6-14-27(32)31-21-24-11-10-17-34(30(24)23-33(31)37)38(25-12-4-3-5-13-25)26-19-20-29-28-15-7-9-18-35(28)39-36(29)22-26/h3-23H,1-2H3
InChIKeyIBAUQLLMKYAUHF-UHFFFAOYSA-N
MW517.70 g/mol
LogP10.98
Rot. Bonds3

About N-(11,11-dimethylbenzo[b]fluoren-9-yl)-N-phenyldibenzothiophen-3-amine

N-(11,11-dimethylbenzo[b]fluoren-9-yl)-N-phenyldibenzothiophen-3-amine (PubChem CID 156554191) has the molecular formula C37H27NS and a molecular weight of 517.70 g/mol. Its IUPAC name is N-(11,11-dimethylbenzo[b]fluoren-9-yl)-N-phenyldibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(11,11-dimethylbenzo[b]fluoren-9-yl)-N-phenyldibenzothiophen-3-amine
PubChem CID156554191
Molecular FormulaC37H27NS
Molecular Weight517.70 g/mol
Exact Mass517.19
IUPAC NameN-(11,11-dimethylbenzo[b]fluoren-9-yl)-N-phenyldibenzothiophen-3-amine
SMILESCC1(C)c2ccccc2-c2cc3cccc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)c3cc21
InChIInChI=1S/C37H27NS/c1-37(2)32-16-8-6-14-27(32)31-21-24-11-10-17-34(30(24)23-33(31)37)38(25-12-4-3-5-13-25)26-19-20-29-28-15-7-9-18-35(28)39-36(29)22-26/h3-23H,1-2H3
InChIKeyIBAUQLLMKYAUHF-UHFFFAOYSA-N
XLogP10.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.70
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(3-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 177274801
7-N-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,1-N,7-N-triphenylnaphthalene-1,7-diamine
CID 171052217
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-4-amine
CID 170044692
N-(2-dibenzothiophen-3-yl-3-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 170666062
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 170412674
N-chrysen-4-yl-N-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-amine
CID 170140047
N-(9,9-dimethylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 168790195
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline
CID 168839480
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-chrysen-2-yl-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-3-amine
CID 170139933
N-(9,9-dimethylfluoren-2-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-1-amine
CID 146295016
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-8-amine
CID 170044096

Frequently Asked Questions

What is the IUPAC name of N-(11,11-dimethylbenzo[b]fluoren-9-yl)-N-phenyldibenzothiophen-3-amine?
The IUPAC name of N-(11,11-dimethylbenzo[b]fluoren-9-yl)-N-phenyldibenzothiophen-3-amine (CID 156554191) is N-(11,11-dimethylbenzo[b]fluoren-9-yl)-N-phenyldibenzothiophen-3-amine.
What is the SMILES notation for N-(11,11-dimethylbenzo[b]fluoren-9-yl)-N-phenyldibenzothiophen-3-amine?
The canonical SMILES for N-(11,11-dimethylbenzo[b]fluoren-9-yl)-N-phenyldibenzothiophen-3-amine is CC1(C)c2ccccc2-c2cc3cccc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)c3cc21.
What is the InChIKey of N-(11,11-dimethylbenzo[b]fluoren-9-yl)-N-phenyldibenzothiophen-3-amine?
The InChIKey is IBAUQLLMKYAUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NS/c1-37(2)32-16-8-6-14-27(32)31-21-24-11-10-17-34(30(24)23-33(31)37)38(25-12-4-3-5-13-25)26-19-20-29-28-15-7-9-18-35(28)39-36(29)22-26/h3-23H,1-2H3.
What are the key properties of N-(11,11-dimethylbenzo[b]fluoren-9-yl)-N-phenyldibenzothiophen-3-amine?
N-(11,11-dimethylbenzo[b]fluoren-9-yl)-N-phenyldibenzothiophen-3-amine has a molecular weight of 517.70 g/mol, XLogP of 10.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11,11-dimethylbenzo[b]fluoren-9-yl)-N-phenyldibenzothiophen-3-amine is sourced from PubChem (CID 156554191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).