N-dibenzofuran-4-yl-N-[3-(20-oxa-9-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]dibenzofuran-4-amine

C48H27NO3S — CID 164965115

IUPACN-dibenzofuran-4-yl-N-[3-(20-oxa-9-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]dibenzofuran-4-amine
SMILESc1cc(-c2cccc3sc4ccc5c6ccccc6oc5c4c23)cc(N(c2cccc3c2oc2ccccc23)c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C48H27NO3S/c1-4-21-39-31(13-1)34-17-8-19-37(46(34)50-39)49(38-20-9-18-35-32-14-2-5-22-40(32)51-47(35)38)29-12-7-11-28(27-29)30-16-10-24-42-44(30)45-43(53-42)26-25-36-33-15-3-6-23-41(33)52-48(36)45/h1-27H
InChIKeyLMKOHSNDZBCWFC-UHFFFAOYSA-N
MW697.82 g/mol
LogP14.89
Rot. Bonds4

About N-dibenzofuran-4-yl-N-[3-(20-oxa-9-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]dibenzofuran-4-amine

N-dibenzofuran-4-yl-N-[3-(20-oxa-9-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]dibenzofuran-4-amine (PubChem CID 164965115) has the molecular formula C48H27NO3S and a molecular weight of 697.82 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-[3-(20-oxa-9-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]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-N-[3-(20-oxa-9-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]dibenzofuran-4-amine
PubChem CID164965115
Molecular FormulaC48H27NO3S
Molecular Weight697.82 g/mol
Exact Mass697.17
IUPAC NameN-dibenzofuran-4-yl-N-[3-(20-oxa-9-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]dibenzofuran-4-amine
SMILESc1cc(-c2cccc3sc4ccc5c6ccccc6oc5c4c23)cc(N(c2cccc3c2oc2ccccc23)c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C48H27NO3S/c1-4-21-39-31(13-1)34-17-8-19-37(46(34)50-39)49(38-20-9-18-35-32-14-2-5-22-40(32)51-47(35)38)29-12-7-11-28(27-29)30-16-10-24-42-44(30)45-43(53-42)26-25-36-33-15-3-6-23-41(33)52-48(36)45/h1-27H
InChIKeyLMKOHSNDZBCWFC-UHFFFAOYSA-N
XLogP14.89
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.82
LogP ≤ 514.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-dibenzofuran-4-yl-N-[3-(20-oxa-9-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]dibenzofuran-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine
CID 164987719
N-[4-(20-oxa-9-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]-2-phenyl-N-(4-phenylphenyl)aniline
CID 164952345
N-dibenzothiophen-3-yl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine
CID 140943740
N-(3-dibenzothiophen-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-4-amine
CID 155303419
8-(8-dibenzofuran-2-yldibenzothiophen-1-yl)-N,N-diphenyldibenzofuran-4-amine
CID 174244486
N-[4-(20-oxa-9-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-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 165040443
N-[4-(20-oxa-9-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-phenylphenyl)dibenzofuran-2-amine
CID 165031929
N-dibenzothiophen-2-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 163977940
N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163957586
N-dibenzofuran-1-yl-N-[4-(20-oxa-9-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]dibenzofuran-3-amine;N-dibenzofuran-3-yl-N-[4-(20-oxa-9-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]dibenzofuran-3-amine;N-dibenzofuran-4-yl-N-[4-(20-oxa-9-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]dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-[4-(20-oxa-9-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]dibenzofuran-4-amine
CID 164954908
N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 167324430
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)naphthalen-1-amine
CID 170676842

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-[3-(20-oxa-9-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]dibenzofuran-4-amine?
The IUPAC name of N-dibenzofuran-4-yl-N-[3-(20-oxa-9-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]dibenzofuran-4-amine (CID 164965115) is N-dibenzofuran-4-yl-N-[3-(20-oxa-9-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]dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-N-[3-(20-oxa-9-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]dibenzofuran-4-amine?
The canonical SMILES for N-dibenzofuran-4-yl-N-[3-(20-oxa-9-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]dibenzofuran-4-amine is c1cc(-c2cccc3sc4ccc5c6ccccc6oc5c4c23)cc(N(c2cccc3c2oc2ccccc23)c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of N-dibenzofuran-4-yl-N-[3-(20-oxa-9-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]dibenzofuran-4-amine?
The InChIKey is LMKOHSNDZBCWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27NO3S/c1-4-21-39-31(13-1)34-17-8-19-37(46(34)50-39)49(38-20-9-18-35-32-14-2-5-22-40(32)51-47(35)38)29-12-7-11-28(27-29)30-16-10-24-42-44(30)45-43(53-42)26-25-36-33-15-3-6-23-41(33)52-48(36)45/h1-27H.
What are the key properties of N-dibenzofuran-4-yl-N-[3-(20-oxa-9-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]dibenzofuran-4-amine?
N-dibenzofuran-4-yl-N-[3-(20-oxa-9-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]dibenzofuran-4-amine has a molecular weight of 697.82 g/mol, XLogP of 14.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-N-[3-(20-oxa-9-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]dibenzofuran-4-amine is sourced from PubChem (CID 164965115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).