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-(3-phenylphenyl)dibenzofuran-1-amine

C48H29NO3 — CID 174321862

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-(3-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)oc4ccc6oc7ccccc7c6c45)cc3)c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C48H29NO3/c1-2-10-30(11-3-1)32-12-8-13-35(28-32)49(39-16-9-19-42-46(39)36-14-4-6-17-40(36)50-42)34-23-20-31(21-24-34)33-22-25-38-45(29-33)52-44-27-26-43-47(48(38)44)37-15-5-7-18-41(37)51-43/h1-29H
InChIKeyFRGFYEKNXXDZGQ-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-(3-phenylphenyl)dibenzofuran-1-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-(3-phenylphenyl)dibenzofuran-1-amine (PubChem CID 174321862) 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-(3-phenylphenyl)dibenzofuran-1-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-(3-phenylphenyl)dibenzofuran-1-amine
PubChem CID174321862
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-(3-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)oc4ccc6oc7ccccc7c6c45)cc3)c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C48H29NO3/c1-2-10-30(11-3-1)32-12-8-13-35(28-32)49(39-16-9-19-42-46(39)36-14-4-6-17-40(36)50-42)34-23-20-31(21-24-34)33-22-25-38-45(29-33)52-44-27-26-43-47(48(38)44)37-15-5-7-18-41(37)51-43/h1-29H
InChIKeyFRGFYEKNXXDZGQ-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-(3-phenylphenyl)dibenzofuran-1-amine with MolForge

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Related Compounds

N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167086573
N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086811
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,4-diphenylaniline
CID 138651647
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605841
8-(8-dibenzofuran-3-yldibenzofuran-2-yl)-N,N-diphenyldibenzofuran-1-amine
CID 174244453
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
CID 167086965
N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 158699050
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-(3-phenylphenyl)dibenzothiophen-4-amine
CID 174322209
N,N,17-triphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-5-amine
CID 171050359
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

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-(3-phenylphenyl)dibenzofuran-1-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-(3-phenylphenyl)dibenzofuran-1-amine (CID 174321862) 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-(3-phenylphenyl)dibenzofuran-1-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-(3-phenylphenyl)dibenzofuran-1-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-(3-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)oc4ccc6oc7ccccc7c6c45)cc3)c3cccc4oc5ccccc5c34)c2)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-(3-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is FRGFYEKNXXDZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NO3/c1-2-10-30(11-3-1)32-12-8-13-35(28-32)49(39-16-9-19-42-46(39)36-14-4-6-17-40(36)50-42)34-23-20-31(21-24-34)33-22-25-38-45(29-33)52-44-27-26-43-47(48(38)44)37-15-5-7-18-41(37)51-43/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-(3-phenylphenyl)dibenzofuran-1-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-(3-phenylphenyl)dibenzofuran-1-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-(3-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 174321862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).