N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine

C50H29NO2S — CID 147306722

IUPACN-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
SMILESc1ccc2cc(N(c3ccc(-c4cccc5oc6ccc7ccc8oc9ccccc9c8c7c6c45)cc3)c3ccc4sc5ccccc5c4c3)ccc2c1
InChIInChI=1S/C50H29NO2S/c1-2-9-33-28-35(23-16-30(33)8-1)51(36-24-27-46-40(29-36)38-10-4-6-15-45(38)54-46)34-21-17-31(18-22-34)37-12-7-14-42-48(37)50-44(53-42)26-20-32-19-25-43-49(47(32)50)39-11-3-5-13-41(39)52-43/h1-29H
InChIKeyCXDQYFWEBYPBRG-UHFFFAOYSA-N
MW707.85 g/mol
LogP15.30
Rot. Bonds4

About N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine

N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine (PubChem CID 147306722) has the molecular formula C50H29NO2S and a molecular weight of 707.85 g/mol. Its IUPAC name is N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
PubChem CID147306722
Molecular FormulaC50H29NO2S
Molecular Weight707.85 g/mol
Exact Mass707.19
IUPAC NameN-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
SMILESc1ccc2cc(N(c3ccc(-c4cccc5oc6ccc7ccc8oc9ccccc9c8c7c6c45)cc3)c3ccc4sc5ccccc5c4c3)ccc2c1
InChIInChI=1S/C50H29NO2S/c1-2-9-33-28-35(23-16-30(33)8-1)51(36-24-27-46-40(29-36)38-10-4-6-15-45(38)54-46)34-21-17-31(18-22-34)37-12-7-14-42-48(37)50-44(53-42)26-20-32-19-25-43-49(47(32)50)39-11-3-5-13-41(39)52-43/h1-29H
InChIKeyCXDQYFWEBYPBRG-UHFFFAOYSA-N
XLogP15.30
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.85
LogP ≤ 515.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine with MolForge

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Related Compounds

N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-phenanthren-2-yldibenzothiophen-4-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 158680802
N-dibenzofuran-3-yl-N-[4-(9-oxa-14-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)phenyl]dibenzofuran-3-amine
CID 153300564
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159820333
N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine
CID 170031524
N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 165015995
6-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)-N,N-diphenylnaphthalen-2-amine;3-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 158840714
N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine
CID 164974664
N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzothiophen-2-amine
CID 170032426
N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine
CID 170031847
N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 167121398
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yldibenzothiophen-3-amine
CID 168809996
N-(9-phenanthren-2-yldibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 172508758

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine?
The IUPAC name of N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine (CID 147306722) is N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine.
What is the SMILES notation for N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine?
The canonical SMILES for N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine is c1ccc2cc(N(c3ccc(-c4cccc5oc6ccc7ccc8oc9ccccc9c8c7c6c45)cc3)c3ccc4sc5ccccc5c4c3)ccc2c1.
What is the InChIKey of N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine?
The InChIKey is CXDQYFWEBYPBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29NO2S/c1-2-9-33-28-35(23-16-30(33)8-1)51(36-24-27-46-40(29-36)38-10-4-6-15-45(38)54-46)34-21-17-31(18-22-34)37-12-7-14-42-48(37)50-44(53-42)26-20-32-19-25-43-49(47(32)50)39-11-3-5-13-41(39)52-43/h1-29H.
What are the key properties of N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine?
N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine has a molecular weight of 707.85 g/mol, XLogP of 15.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine is sourced from PubChem (CID 147306722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).