N-dibenzofuran-4-yl-18,18-dimethyl-N-(4-phenylphenyl)-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaen-15-amine

C49H34N2O2 — CID 170656594

IUPACN-dibenzofuran-4-yl-18,18-dimethyl-N-(4-phenylphenyl)-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaen-15-amine
SMILESCC1(C)c2ccccc2N2c3c(cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4ccccc45)cc31)Oc1ccc3ccccc3c12
InChIInChI=1S/C49H34N2O2/c1-49(2)39-19-9-10-20-41(39)51-46-36-16-7-6-15-33(36)25-28-44(46)52-45-30-35(29-40(49)47(45)51)50(34-26-23-32(24-27-34)31-13-4-3-5-14-31)42-21-12-18-38-37-17-8-11-22-43(37)53-48(38)42/h3-30H,1-2H3
InChIKeyAHSDNWAVPNKUAR-UHFFFAOYSA-N
MW682.82 g/mol
LogP14.09
Rot. Bonds4

About N-dibenzofuran-4-yl-18,18-dimethyl-N-(4-phenylphenyl)-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaen-15-amine

N-dibenzofuran-4-yl-18,18-dimethyl-N-(4-phenylphenyl)-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaen-15-amine (PubChem CID 170656594) has the molecular formula C49H34N2O2 and a molecular weight of 682.82 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-18,18-dimethyl-N-(4-phenylphenyl)-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaen-15-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-18,18-dimethyl-N-(4-phenylphenyl)-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaen-15-amine
PubChem CID170656594
Molecular FormulaC49H34N2O2
Molecular Weight682.82 g/mol
Exact Mass682.26
IUPAC NameN-dibenzofuran-4-yl-18,18-dimethyl-N-(4-phenylphenyl)-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaen-15-amine
SMILESCC1(C)c2ccccc2N2c3c(cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4ccccc45)cc31)Oc1ccc3ccccc3c12
InChIInChI=1S/C49H34N2O2/c1-49(2)39-19-9-10-20-41(39)51-46-36-16-7-6-15-33(36)25-28-44(46)52-45-30-35(29-40(49)47(45)51)50(34-26-23-32(24-27-34)31-13-4-3-5-14-31)42-21-12-18-38-37-17-8-11-22-43(37)53-48(38)42/h3-30H,1-2H3
InChIKeyAHSDNWAVPNKUAR-UHFFFAOYSA-N
XLogP14.09
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.82
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-dibenzofuran-4-yl-18,18-dimethyl-N-(4-phenylphenyl)-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaen-15-amine with MolForge

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Related Compounds

N-[4-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170656832
N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-21-amine
CID 170656371
N-[4-(18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaen-15-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170656467
18,18-dimethyl-N-(4-phenylphenyl)-N-triphenylen-2-yl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13(25),14,16,19,21,23-undecaen-16-amine
CID 170656461
18,18-dimethyl-N-(4-phenylphenyl)-N-triphenylen-2-yl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-22-amine
CID 170656690
14,14-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-17-amine
CID 170656255
N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-4-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 139527930
18,18-dimethyl-N-phenanthren-9-yl-N-(4-phenylphenyl)-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-22-amine
CID 170656323
18,18-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-22-amine
CID 170656562
N-[4-(18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-21-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 170656581
N-[4-(18,18-dimethyl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-21-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 170656276
N-(3-naphthalen-1-yl-5-spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-4'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167116452

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-18,18-dimethyl-N-(4-phenylphenyl)-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaen-15-amine?
The IUPAC name of N-dibenzofuran-4-yl-18,18-dimethyl-N-(4-phenylphenyl)-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaen-15-amine (CID 170656594) is N-dibenzofuran-4-yl-18,18-dimethyl-N-(4-phenylphenyl)-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaen-15-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-18,18-dimethyl-N-(4-phenylphenyl)-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaen-15-amine?
The canonical SMILES for N-dibenzofuran-4-yl-18,18-dimethyl-N-(4-phenylphenyl)-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaen-15-amine is CC1(C)c2ccccc2N2c3c(cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4ccccc45)cc31)Oc1ccc3ccccc3c12.
What is the InChIKey of N-dibenzofuran-4-yl-18,18-dimethyl-N-(4-phenylphenyl)-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaen-15-amine?
The InChIKey is AHSDNWAVPNKUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2O2/c1-49(2)39-19-9-10-20-41(39)51-46-36-16-7-6-15-33(36)25-28-44(46)52-45-30-35(29-40(49)47(45)51)50(34-26-23-32(24-27-34)31-13-4-3-5-14-31)42-21-12-18-38-37-17-8-11-22-43(37)53-48(38)42/h3-30H,1-2H3.
What are the key properties of N-dibenzofuran-4-yl-18,18-dimethyl-N-(4-phenylphenyl)-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaen-15-amine?
N-dibenzofuran-4-yl-18,18-dimethyl-N-(4-phenylphenyl)-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaen-15-amine has a molecular weight of 682.82 g/mol, XLogP of 14.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-18,18-dimethyl-N-(4-phenylphenyl)-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaen-15-amine is sourced from PubChem (CID 170656594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).