18-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-18-N-[1-(4-phenylphenyl)naphthalen-2-yl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine

C65H48N2S — CID 171404354

IUPAC18-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-18-N-[1-(4-phenylphenyl)naphthalen-2-yl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
SMILESc1ccc(-c2ccc(-c3c(N(c4ccc5c(c4)sc4ccccc45)c4cccc5c4C46c7c(cccc7N(c7ccccc7)c7ccccc7)CC4CCC6C5)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C65H48N2S/c1-4-16-43(17-5-1)44-30-32-46(33-31-44)62-54-25-11-10-18-45(54)34-39-57(62)67(53-37-38-56-55-26-12-13-29-60(55)68-61(56)42-53)59-28-15-20-48-41-50-36-35-49-40-47-19-14-27-58(63(47)65(49,50)64(48)59)66(51-21-6-2-7-22-51)52-23-8-3-9-24-52/h1-34,37-39,42,49-50H,35-36,40-41H2
InChIKeyHBUPMFHIXSRNPR-UHFFFAOYSA-N
MW889.18 g/mol
LogP17.91
Rot. Bonds8

About 18-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-18-N-[1-(4-phenylphenyl)naphthalen-2-yl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine

18-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-18-N-[1-(4-phenylphenyl)naphthalen-2-yl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine (PubChem CID 171404354) has the molecular formula C65H48N2S and a molecular weight of 889.18 g/mol. Its IUPAC name is 18-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-18-N-[1-(4-phenylphenyl)naphthalen-2-yl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine.

Molecular Properties

Compound Name18-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-18-N-[1-(4-phenylphenyl)naphthalen-2-yl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
PubChem CID171404354
Molecular FormulaC65H48N2S
Molecular Weight889.18 g/mol
Exact Mass888.35
IUPAC Name18-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-18-N-[1-(4-phenylphenyl)naphthalen-2-yl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
SMILESc1ccc(-c2ccc(-c3c(N(c4ccc5c(c4)sc4ccccc45)c4cccc5c4C46c7c(cccc7N(c7ccccc7)c7ccccc7)CC4CCC6C5)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C65H48N2S/c1-4-16-43(17-5-1)44-30-32-46(33-31-44)62-54-25-11-10-18-45(54)34-39-57(62)67(53-37-38-56-55-26-12-13-29-60(55)68-61(56)42-53)59-28-15-20-48-41-50-36-35-49-40-47-19-14-27-58(63(47)65(49,50)64(48)59)66(51-21-6-2-7-22-51)52-23-8-3-9-24-52/h1-34,37-39,42,49-50H,35-36,40-41H2
InChIKeyHBUPMFHIXSRNPR-UHFFFAOYSA-N
XLogP17.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.18
LogP ≤ 517.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 18-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-18-N-[1-(4-phenylphenyl)naphthalen-2-yl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine with MolForge

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Related Compounds

N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177098573
3-N-(9,9-dimethyl-5-phenylfluoren-2-yl)-3-N,18-N-diphenyl-18-N-[1-(4-phenylphenyl)naphthalen-2-yl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171403964
18-N-[4-(1-adamantyl)phenyl]-18-N-dibenzothiophen-3-yl-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404125
18-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-3-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404359
4-N-(9-methyldibenzothiophen-3-yl)-1-N-phenyl-4-N-(1-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 177098553
18-N-(9,9-diphenylfluoren-2-yl)-3-N,18-N-diphenyl-3-N-[4-(1-phenylnaphthalen-2-yl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404347
1-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-(4-phenylphenyl)naphthalen-2-amine
CID 156522856
1-dibenzothiophen-3-yl-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 156522899
N-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]dibenzothiophen-4-amine
CID 166008457
N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 161138976
N-(4-cyclopentylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 164774673
N-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 164774786

Frequently Asked Questions

What is the IUPAC name of 18-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-18-N-[1-(4-phenylphenyl)naphthalen-2-yl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
The IUPAC name of 18-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-18-N-[1-(4-phenylphenyl)naphthalen-2-yl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine (CID 171404354) is 18-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-18-N-[1-(4-phenylphenyl)naphthalen-2-yl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine.
What is the SMILES notation for 18-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-18-N-[1-(4-phenylphenyl)naphthalen-2-yl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
The canonical SMILES for 18-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-18-N-[1-(4-phenylphenyl)naphthalen-2-yl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine is c1ccc(-c2ccc(-c3c(N(c4ccc5c(c4)sc4ccccc45)c4cccc5c4C46c7c(cccc7N(c7ccccc7)c7ccccc7)CC4CCC6C5)ccc4ccccc34)cc2)cc1.
What is the InChIKey of 18-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-18-N-[1-(4-phenylphenyl)naphthalen-2-yl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
The InChIKey is HBUPMFHIXSRNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H48N2S/c1-4-16-43(17-5-1)44-30-32-46(33-31-44)62-54-25-11-10-18-45(54)34-39-57(62)67(53-37-38-56-55-26-12-13-29-60(55)68-61(56)42-53)59-28-15-20-48-41-50-36-35-49-40-47-19-14-27-58(63(47)65(49,50)64(48)59)66(51-21-6-2-7-22-51)52-23-8-3-9-24-52/h1-34,37-39,42,49-50H,35-36,40-41H2.
What are the key properties of 18-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-18-N-[1-(4-phenylphenyl)naphthalen-2-yl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
18-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-18-N-[1-(4-phenylphenyl)naphthalen-2-yl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine has a molecular weight of 889.18 g/mol, XLogP of 17.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-18-N-[1-(4-phenylphenyl)naphthalen-2-yl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine is sourced from PubChem (CID 171404354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).