N-[3-(9,20-dioxapentacyclo[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]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine

C52H31NO3 — CID 164951796

IUPACN-[3-(9,20-dioxapentacyclo[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]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
SMILESc1cc(-c2cccc3c2oc2c3ccc3oc4ccccc4c32)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C52H31NO3/c1-2-10-34-29-35(20-19-32(34)9-1)33-21-23-37(24-22-33)53(39-25-26-42-41-13-3-5-17-46(41)55-49(42)31-39)38-12-7-11-36(30-38)40-15-8-16-43-44-27-28-48-50(52(44)56-51(40)43)45-14-4-6-18-47(45)54-48/h1-31H
InChIKeyCZLWFRPGXQZLFV-UHFFFAOYSA-N
MW717.82 g/mol
LogP15.34
Rot. Bonds5

About N-[3-(9,20-dioxapentacyclo[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]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine

N-[3-(9,20-dioxapentacyclo[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]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine (PubChem CID 164951796) has the molecular formula C52H31NO3 and a molecular weight of 717.82 g/mol. Its IUPAC name is N-[3-(9,20-dioxapentacyclo[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]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[3-(9,20-dioxapentacyclo[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]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
PubChem CID164951796
Molecular FormulaC52H31NO3
Molecular Weight717.82 g/mol
Exact Mass717.23
IUPAC NameN-[3-(9,20-dioxapentacyclo[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]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
SMILESc1cc(-c2cccc3c2oc2c3ccc3oc4ccccc4c32)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C52H31NO3/c1-2-10-34-29-35(20-19-32(34)9-1)33-21-23-37(24-22-33)53(39-25-26-42-41-13-3-5-17-46(41)55-49(42)31-39)38-12-7-11-36(30-38)40-15-8-16-43-44-27-28-48-50(52(44)56-51(40)43)45-14-4-6-18-47(45)54-48/h1-31H
InChIKeyCZLWFRPGXQZLFV-UHFFFAOYSA-N
XLogP15.34
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.82
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3-(9,20-dioxapentacyclo[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]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine with MolForge

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Related Compounds

N-dibenzofuran-3-yl-N-[3-(9,20-dioxapentacyclo[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 164980239
N-dibenzofuran-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;3-(6-phenyldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline;N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 160949649
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374301
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 155374297
3-dibenzofuran-4-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170032090
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167358323
N-dibenzofuran-3-yl-6-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167396499
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(3-naphthalen-2-ylphenyl)aniline
CID 155374464
N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169302116
N-(3-dibenzofuran-1-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 176810568
N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396874
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,20-dioxapentacyclo[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]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-[3-(9,20-dioxapentacyclo[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]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine (CID 164951796) is N-[3-(9,20-dioxapentacyclo[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]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-[3-(9,20-dioxapentacyclo[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]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-[3-(9,20-dioxapentacyclo[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]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine is c1cc(-c2cccc3c2oc2c3ccc3oc4ccccc4c32)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(c2)oc2ccccc23)c1.
What is the InChIKey of N-[3-(9,20-dioxapentacyclo[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]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine?
The InChIKey is CZLWFRPGXQZLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31NO3/c1-2-10-34-29-35(20-19-32(34)9-1)33-21-23-37(24-22-33)53(39-25-26-42-41-13-3-5-17-46(41)55-49(42)31-39)38-12-7-11-36(30-38)40-15-8-16-43-44-27-28-48-50(52(44)56-51(40)43)45-14-4-6-18-47(45)54-48/h1-31H.
What are the key properties of N-[3-(9,20-dioxapentacyclo[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]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine?
N-[3-(9,20-dioxapentacyclo[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]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine has a molecular weight of 717.82 g/mol, XLogP of 15.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,20-dioxapentacyclo[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]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 164951796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).