N-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(3-phenylphenyl)-5a,9a-dihydrodibenzothiophen-2-amine

C52H36N2S — CID 170177943

IUPACN-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(3-phenylphenyl)-5a,9a-dihydrodibenzothiophen-2-amine
SMILESC1=CC2Sc3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)c4)cc3C2C=C1
InChIInChI=1S/C52H36N2S/c1-3-13-35(14-4-1)37-16-11-20-41(31-37)53(43-27-30-51-46(34-43)45-23-9-10-24-50(45)55-51)42-21-12-17-38(32-42)39-26-28-48-47(33-39)52-44-22-8-7-15-36(44)25-29-49(52)54(48)40-18-5-2-6-19-40/h1-34,45,50H
InChIKeyYUJAAUVZMMGTND-UHFFFAOYSA-N
MW720.94 g/mol
LogP14.42
Rot. Bonds6

About N-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(3-phenylphenyl)-5a,9a-dihydrodibenzothiophen-2-amine

N-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(3-phenylphenyl)-5a,9a-dihydrodibenzothiophen-2-amine (PubChem CID 170177943) has the molecular formula C52H36N2S and a molecular weight of 720.94 g/mol. Its IUPAC name is N-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(3-phenylphenyl)-5a,9a-dihydrodibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(3-phenylphenyl)-5a,9a-dihydrodibenzothiophen-2-amine
PubChem CID170177943
Molecular FormulaC52H36N2S
Molecular Weight720.94 g/mol
Exact Mass720.26
IUPAC NameN-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(3-phenylphenyl)-5a,9a-dihydrodibenzothiophen-2-amine
SMILESC1=CC2Sc3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)c4)cc3C2C=C1
InChIInChI=1S/C52H36N2S/c1-3-13-35(14-4-1)37-16-11-20-41(31-37)53(43-27-30-51-46(34-43)45-23-9-10-24-50(45)55-51)42-21-12-17-38(32-42)39-26-28-48-47(33-39)52-44-22-8-7-15-36(44)25-29-49(52)54(48)40-18-5-2-6-19-40/h1-34,45,50H
InChIKeyYUJAAUVZMMGTND-UHFFFAOYSA-N
XLogP14.42
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.94
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-4-(7-phenylbenzo[c]carbazol-10-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 130265731
N-phenyl-N-[4-[4-(10-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 90296031
N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 167038041
N,3-diphenyl-N-[3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)phenyl]aniline
CID 139500098
7-phenyl-10-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole
CID 129290171
N-methyl-N-phenyl-4-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]aniline
CID 126631336
N-(4-benzo[c]carbazol-7-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 138468062
N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)aniline
CID 139500549
N-dibenzothiophen-3-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine
CID 166847666
9,9-dimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 156513111
3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 166660559
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-3-yl)aniline
CID 170177898

Frequently Asked Questions

What is the IUPAC name of N-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(3-phenylphenyl)-5a,9a-dihydrodibenzothiophen-2-amine?
The IUPAC name of N-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(3-phenylphenyl)-5a,9a-dihydrodibenzothiophen-2-amine (CID 170177943) is N-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(3-phenylphenyl)-5a,9a-dihydrodibenzothiophen-2-amine.
What is the SMILES notation for N-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(3-phenylphenyl)-5a,9a-dihydrodibenzothiophen-2-amine?
The canonical SMILES for N-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(3-phenylphenyl)-5a,9a-dihydrodibenzothiophen-2-amine is C1=CC2Sc3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)c4)cc3C2C=C1.
What is the InChIKey of N-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(3-phenylphenyl)-5a,9a-dihydrodibenzothiophen-2-amine?
The InChIKey is YUJAAUVZMMGTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2S/c1-3-13-35(14-4-1)37-16-11-20-41(31-37)53(43-27-30-51-46(34-43)45-23-9-10-24-50(45)55-51)42-21-12-17-38(32-42)39-26-28-48-47(33-39)52-44-22-8-7-15-36(44)25-29-49(52)54(48)40-18-5-2-6-19-40/h1-34,45,50H.
What are the key properties of N-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(3-phenylphenyl)-5a,9a-dihydrodibenzothiophen-2-amine?
N-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(3-phenylphenyl)-5a,9a-dihydrodibenzothiophen-2-amine has a molecular weight of 720.94 g/mol, XLogP of 14.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(3-phenylphenyl)-5a,9a-dihydrodibenzothiophen-2-amine is sourced from PubChem (CID 170177943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).