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

C48H27NO3S — CID 153300564

IUPACN-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
SMILESc1ccc2c(c1)oc1cc(N(c3ccc(-c4cccc5oc6ccc7sc8ccccc8c7c6c45)cc3)c3ccc4c(c3)oc3ccccc34)ccc12
InChIInChI=1S/C48H27NO3S/c1-4-12-38-33(8-1)35-22-20-30(26-42(35)50-38)49(31-21-23-36-34-9-2-5-13-39(34)51-43(36)27-31)29-18-16-28(17-19-29)32-11-7-14-40-46(32)48-41(52-40)24-25-45-47(48)37-10-3-6-15-44(37)53-45/h1-27H
InChIKeyFQVWJKCQASKIQV-UHFFFAOYSA-N
MW697.82 g/mol
LogP14.89
Rot. Bonds4

About 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

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 (PubChem CID 153300564) has the molecular formula C48H27NO3S and a molecular weight of 697.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID153300564
Molecular FormulaC48H27NO3S
Molecular Weight697.82 g/mol
Exact Mass697.17
IUPAC NameN-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
SMILESc1ccc2c(c1)oc1cc(N(c3ccc(-c4cccc5oc6ccc7sc8ccccc8c7c6c45)cc3)c3ccc4c(c3)oc3ccccc34)ccc12
InChIInChI=1S/C48H27NO3S/c1-4-12-38-33(8-1)35-22-20-30(26-42(35)50-38)49(31-21-23-36-34-9-2-5-13-39(34)51-43(36)27-31)29-18-16-28(17-19-29)32-11-7-14-40-46(32)48-41(52-40)24-25-45-47(48)37-10-3-6-15-44(37)53-45/h1-27H
InChIKeyFQVWJKCQASKIQV-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-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 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-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-dibenzofuran-3-yl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzofuran-3-amine
CID 164988844
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 165073444
N-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 165073445
N-(3-naphtho[2,1-b][1]benzothiol-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 168807527
4-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline
CID 164835628
N-(4-naphthalen-1-ylphenyl)-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(19),15,17-nonaen-18-yl)phenyl]dibenzofuran-3-amine
CID 164989809
4-(6-dibenzofuran-3-ylnaphthalen-2-yl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline
CID 164835642
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-[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-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-3-ylphenyl)aniline
CID 164835604
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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)oc1cc(N(c3ccc(-c4cccc5oc6ccc7sc8ccccc8c7c6c45)cc3)c3ccc4c(c3)oc3ccccc34)ccc12.
What is the InChIKey of 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?
The InChIKey is FQVWJKCQASKIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27NO3S/c1-4-12-38-33(8-1)35-22-20-30(26-42(35)50-38)49(31-21-23-36-34-9-2-5-13-39(34)51-43(36)27-31)29-18-16-28(17-19-29)32-11-7-14-40-46(32)48-41(52-40)24-25-45-47(48)37-10-3-6-15-44(37)53-45/h1-27H.
What are the key properties of 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?
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 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-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 is sourced from PubChem (CID 153300564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).