N-(4-dibenzofuran-3-ylphenyl)-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]dibenzofuran-1-amine

C54H31NO4 — CID 164948700

IUPACN-(4-dibenzofuran-3-ylphenyl)-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]dibenzofuran-1-amine
SMILESc1ccc2c(c1)oc1cc(-c3ccc(N(c4ccc(-c5cccc6oc7ccc8c9ccccc9oc8c7c56)cc4)c4cccc5oc6ccccc6c45)cc3)ccc12
InChIInChI=1S/C54H31NO4/c1-4-14-44-38(9-1)40-28-23-34(31-50(40)57-44)32-19-24-35(25-20-32)55(43-13-8-18-47-51(43)42-11-3-6-16-46(42)56-47)36-26-21-33(22-27-36)37-12-7-17-48-52(37)53-49(58-48)30-29-41-39-10-2-5-15-45(39)59-54(41)53/h1-31H
InChIKeyHSLVQQKAHKPJFL-UHFFFAOYSA-N
MW757.85 g/mol
LogP16.09
Rot. Bonds5

About N-(4-dibenzofuran-3-ylphenyl)-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]dibenzofuran-1-amine

N-(4-dibenzofuran-3-ylphenyl)-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]dibenzofuran-1-amine (PubChem CID 164948700) has the molecular formula C54H31NO4 and a molecular weight of 757.85 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-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]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-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]dibenzofuran-1-amine
PubChem CID164948700
Molecular FormulaC54H31NO4
Molecular Weight757.85 g/mol
Exact Mass757.23
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-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]dibenzofuran-1-amine
SMILESc1ccc2c(c1)oc1cc(-c3ccc(N(c4ccc(-c5cccc6oc7ccc8c9ccccc9oc8c7c56)cc4)c4cccc5oc6ccccc6c45)cc3)ccc12
InChIInChI=1S/C54H31NO4/c1-4-14-44-38(9-1)40-28-23-34(31-50(40)57-44)32-19-24-35(25-20-32)55(43-13-8-18-47-51(43)42-11-3-6-16-46(42)56-47)36-26-21-33(22-27-36)37-12-7-17-48-52(37)53-49(58-48)30-29-41-39-10-2-5-15-45(39)59-54(41)53/h1-31H
InChIKeyHSLVQQKAHKPJFL-UHFFFAOYSA-N
XLogP16.09
TPSA55.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.85
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(4-dibenzofuran-3-ylphenyl)-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]dibenzofuran-1-amine with MolForge

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Related Compounds

N-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzofuran-1-amine
CID 167144315
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
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-phenylnaphthalen-1-amine
CID 165031097
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170300451
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168804546
N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502629
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186611
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186962
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502866
N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)phenyl]dibenzofuran-4-amine
CID 176808337
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
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

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-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]dibenzofuran-1-amine?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-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]dibenzofuran-1-amine (CID 164948700) is N-(4-dibenzofuran-3-ylphenyl)-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]dibenzofuran-1-amine.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-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]dibenzofuran-1-amine?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-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]dibenzofuran-1-amine is c1ccc2c(c1)oc1cc(-c3ccc(N(c4ccc(-c5cccc6oc7ccc8c9ccccc9oc8c7c56)cc4)c4cccc5oc6ccccc6c45)cc3)ccc12.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-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]dibenzofuran-1-amine?
The InChIKey is HSLVQQKAHKPJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H31NO4/c1-4-14-44-38(9-1)40-28-23-34(31-50(40)57-44)32-19-24-35(25-20-32)55(43-13-8-18-47-51(43)42-11-3-6-16-46(42)56-47)36-26-21-33(22-27-36)37-12-7-17-48-52(37)53-49(58-48)30-29-41-39-10-2-5-15-45(39)59-54(41)53/h1-31H.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-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]dibenzofuran-1-amine?
N-(4-dibenzofuran-3-ylphenyl)-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]dibenzofuran-1-amine has a molecular weight of 757.85 g/mol, XLogP of 16.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylphenyl)-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]dibenzofuran-1-amine is sourced from PubChem (CID 164948700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).