N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine

C48H29NO3 — CID 174321866

IUPACN-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)oc3ccc5oc6ccccc6c5c34)cc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C48H29NO3/c1-2-11-31(12-3-1)34-13-4-7-17-39(34)49(40-18-10-16-36-35-14-5-8-19-41(35)52-48(36)40)33-24-21-30(22-25-33)32-23-26-38-45(29-32)51-44-28-27-43-46(47(38)44)37-15-6-9-20-42(37)50-43/h1-29H
InChIKeyMZDBERILXQYTMQ-UHFFFAOYSA-N
MW667.76 g/mol
LogP14.19
Rot. Bonds5

About N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine

N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine (PubChem CID 174321866) has the molecular formula C48H29NO3 and a molecular weight of 667.76 g/mol. Its IUPAC name is N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
PubChem CID174321866
Molecular FormulaC48H29NO3
Molecular Weight667.76 g/mol
Exact Mass667.21
IUPAC NameN-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)oc3ccc5oc6ccccc6c5c34)cc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C48H29NO3/c1-2-11-31(12-3-1)34-13-4-7-17-39(34)49(40-18-10-16-36-35-14-5-8-19-41(35)52-48(36)40)33-24-21-30(22-25-33)32-23-26-38-45(29-32)51-44-28-27-43-46(47(38)44)37-15-6-9-20-42(37)50-43/h1-29H
InChIKeyMZDBERILXQYTMQ-UHFFFAOYSA-N
XLogP14.19
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.76
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)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-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397570
N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502629
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 138651234
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174322022
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)phenyl]dibenzofuran-4-amine
CID 176808337
N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168791089
N-[4-(3-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168805436
N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744376
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 169064628
N-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine
CID 167397866
18-N-dibenzofuran-4-yl-5-N-phenyl-18-N-(2-phenylphenyl)-5-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121260290

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine (CID 174321866) is N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)oc3ccc5oc6ccccc6c5c34)cc2)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is MZDBERILXQYTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NO3/c1-2-11-31(12-3-1)34-13-4-7-17-39(34)49(40-18-10-16-36-35-14-5-8-19-41(35)52-48(36)40)33-24-21-30(22-25-33)32-23-26-38-45(29-32)51-44-28-27-43-46(47(38)44)37-15-6-9-20-42(37)50-43/h1-29H.
What are the key properties of N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine?
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 667.76 g/mol, XLogP of 14.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 174321866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).