N-dibenzofuran-2-yl-N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]dibenzofuran-3-amine

C52H27NO2S2 — CID 164972498

IUPACN-dibenzofuran-2-yl-N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]dibenzofuran-3-amine
SMILESc1cc(-c2cc3sc4cccc5c4c3c3c2ccc2sc4cccc-5c4c23)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C52H27NO2S2/c1-3-14-40-32(10-1)34-20-18-31(26-43(34)55-40)53(30-19-22-42-39(25-30)33-11-2-4-15-41(33)54-42)29-9-5-8-28(24-29)38-27-47-52-49-36(13-7-17-45(49)57-47)35-12-6-16-44-48(35)51-46(56-44)23-21-37(38)50(51)52/h1-27H
InChIKeyFBXDCTVASLQLMX-UHFFFAOYSA-N
MW761.93 g/mol
LogP16.49
Rot. Bonds4

About N-dibenzofuran-2-yl-N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]dibenzofuran-3-amine

N-dibenzofuran-2-yl-N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]dibenzofuran-3-amine (PubChem CID 164972498) has the molecular formula C52H27NO2S2 and a molecular weight of 761.93 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]dibenzofuran-3-amine
PubChem CID164972498
Molecular FormulaC52H27NO2S2
Molecular Weight761.93 g/mol
Exact Mass761.15
IUPAC NameN-dibenzofuran-2-yl-N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]dibenzofuran-3-amine
SMILESc1cc(-c2cc3sc4cccc5c4c3c3c2ccc2sc4cccc-5c4c23)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C52H27NO2S2/c1-3-14-40-32(10-1)34-20-18-31(26-43(34)55-40)53(30-19-22-42-39(25-30)33-11-2-4-15-41(33)54-42)29-9-5-8-28(24-29)38-27-47-52-49-36(13-7-17-45(49)57-47)35-12-6-16-44-48(35)51-46(56-44)23-21-37(38)50(51)52/h1-27H
InChIKeyFBXDCTVASLQLMX-UHFFFAOYSA-N
XLogP16.49
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.93
LogP ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-dibenzofuran-2-yl-N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]dibenzofuran-3-amine with MolForge

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Related Compounds

N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 164986392
N-dibenzofuran-3-yl-N-[4-(9,14-dithiapentacyclo[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 153300507
N-[4-(17,17-dimethyl-9-thiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-14-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 165017896
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 165073444
N-(3-naphtho[2,1-b][1]benzothiol-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 168807527
N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]-N-phenylphenanthren-2-amine
CID 165059765
N-(4-naphthalen-1-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 160932479
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 161416288
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-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine
CID 176781504
N-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 165073445

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]dibenzofuran-3-amine (CID 164972498) is N-dibenzofuran-2-yl-N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]dibenzofuran-3-amine is c1cc(-c2cc3sc4cccc5c4c3c3c2ccc2sc4cccc-5c4c23)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of N-dibenzofuran-2-yl-N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is FBXDCTVASLQLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H27NO2S2/c1-3-14-40-32(10-1)34-20-18-31(26-43(34)55-40)53(30-19-22-42-39(25-30)33-11-2-4-15-41(33)54-42)29-9-5-8-28(24-29)38-27-47-52-49-36(13-7-17-45(49)57-47)35-12-6-16-44-48(35)51-46(56-44)23-21-37(38)50(51)52/h1-27H.
What are the key properties of N-dibenzofuran-2-yl-N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]dibenzofuran-3-amine?
N-dibenzofuran-2-yl-N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 761.93 g/mol, XLogP of 16.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-[3-(9,17-dithiaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-12-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 164972498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).