6-dibenzothiophen-4-yl-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-5-amine

C43H31NS — CID 169280609

IUPAC6-dibenzothiophen-4-yl-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-5-amine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc4c3sc3ccccc34)c(N(c3ccccc3)c3ccccc3)c3ccccc3c21
InChIInChI=1S/C43H31NS/c1-43(2)36-26-13-11-23-34(36)38-39(35-25-15-24-33-30-20-12-14-27-37(30)45-42(33)35)41(32-22-10-9-21-31(32)40(38)43)44(28-16-5-3-6-17-28)29-18-7-4-8-19-29/h3-27H,1-2H3
InChIKeyRSOGSFPCBZIPIV-UHFFFAOYSA-N
MW593.80 g/mol
LogP12.65
Rot. Bonds4

About 6-dibenzothiophen-4-yl-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-5-amine

6-dibenzothiophen-4-yl-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-5-amine (PubChem CID 169280609) has the molecular formula C43H31NS and a molecular weight of 593.80 g/mol. Its IUPAC name is 6-dibenzothiophen-4-yl-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-5-amine.

Molecular Properties

Compound Name6-dibenzothiophen-4-yl-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-5-amine
PubChem CID169280609
Molecular FormulaC43H31NS
Molecular Weight593.80 g/mol
Exact Mass593.22
IUPAC Name6-dibenzothiophen-4-yl-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-5-amine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc4c3sc3ccccc34)c(N(c3ccccc3)c3ccccc3)c3ccccc3c21
InChIInChI=1S/C43H31NS/c1-43(2)36-26-13-11-23-34(36)38-39(35-25-15-24-33-30-20-12-14-27-37(30)45-42(33)35)41(32-22-10-9-21-31(32)40(38)43)44(28-16-5-3-6-17-28)29-18-7-4-8-19-29/h3-27H,1-2H3
InChIKeyRSOGSFPCBZIPIV-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-dibenzothiophen-4-yl-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-19-amine
CID 155005102
11,11-dimethyl-6-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 169280476
N-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenyldibenzothiophen-4-amine
CID 90129132
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,6-diphenylbenzo[a]fluoren-5-amine
CID 169280376
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 118193740
N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121323910
N-(2-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293399
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 154961628
N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine
CID 167197274
1-N-dibenzothiophen-4-yl-3-N-(9,9-dimethylfluoren-4-yl)-1-N-phenyl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 155096793
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine
CID 169280286
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine
CID 169280868

Frequently Asked Questions

What is the IUPAC name of 6-dibenzothiophen-4-yl-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-5-amine?
The IUPAC name of 6-dibenzothiophen-4-yl-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-5-amine (CID 169280609) is 6-dibenzothiophen-4-yl-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-5-amine.
What is the SMILES notation for 6-dibenzothiophen-4-yl-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-5-amine?
The canonical SMILES for 6-dibenzothiophen-4-yl-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-5-amine is CC1(C)c2ccccc2-c2c(-c3cccc4c3sc3ccccc34)c(N(c3ccccc3)c3ccccc3)c3ccccc3c21.
What is the InChIKey of 6-dibenzothiophen-4-yl-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-5-amine?
The InChIKey is RSOGSFPCBZIPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31NS/c1-43(2)36-26-13-11-23-34(36)38-39(35-25-15-24-33-30-20-12-14-27-37(30)45-42(33)35)41(32-22-10-9-21-31(32)40(38)43)44(28-16-5-3-6-17-28)29-18-7-4-8-19-29/h3-27H,1-2H3.
What are the key properties of 6-dibenzothiophen-4-yl-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-5-amine?
6-dibenzothiophen-4-yl-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-5-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 6-dibenzothiophen-4-yl-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-5-amine is sourced from PubChem (CID 169280609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).