N-[3-(1-azahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-yl)phenyl]-N-phenyldibenzofuran-2-amine

C46H28N2O — CID 154936811

IUPACN-[3-(1-azahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-yl)phenyl]-N-phenyldibenzofuran-2-amine
SMILESc1ccc(N(c2cccc(-c3ccc4c5ccc6cccc7c8ccccc8n(c4c3)c5c67)c2)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C46H28N2O/c1-2-12-32(13-3-1)47(34-22-25-44-40(28-34)37-16-5-7-19-43(37)49-44)33-14-8-11-30(26-33)31-21-23-36-39-24-20-29-10-9-17-38-35-15-4-6-18-41(35)48(42(36)27-31)46(39)45(29)38/h1-28H
InChIKeyOUEMBQRQJTZPRV-UHFFFAOYSA-N
MW624.74 g/mol
LogP13.03
Rot. Bonds4

About N-[3-(1-azahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-yl)phenyl]-N-phenyldibenzofuran-2-amine

N-[3-(1-azahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-yl)phenyl]-N-phenyldibenzofuran-2-amine (PubChem CID 154936811) has the molecular formula C46H28N2O and a molecular weight of 624.74 g/mol. Its IUPAC name is N-[3-(1-azahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-yl)phenyl]-N-phenyldibenzofuran-2-amine.

Molecular Properties

Compound NameN-[3-(1-azahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-yl)phenyl]-N-phenyldibenzofuran-2-amine
PubChem CID154936811
Molecular FormulaC46H28N2O
Molecular Weight624.74 g/mol
Exact Mass624.22
IUPAC NameN-[3-(1-azahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-yl)phenyl]-N-phenyldibenzofuran-2-amine
SMILESc1ccc(N(c2cccc(-c3ccc4c5ccc6cccc7c8ccccc8n(c4c3)c5c67)c2)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C46H28N2O/c1-2-12-32(13-3-1)47(34-22-25-44-40(28-34)37-16-5-7-19-43(37)49-44)33-14-8-11-30(26-33)31-21-23-36-39-24-20-29-10-9-17-38-35-15-4-6-18-41(35)48(42(36)27-31)46(39)45(29)38/h1-28H
InChIKeyOUEMBQRQJTZPRV-UHFFFAOYSA-N
XLogP13.03
TPSA20.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.74
LogP ≤ 513.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[3-(1-azahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-yl)phenyl]-N-phenyldibenzofuran-2-amine with MolForge

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Related Compounds

N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-dibenzofuran-2-yldibenzofuran-3-amine
CID 118179965
N-dibenzofuran-2-yl-N-(4-phenylphenyl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
CID 170280230
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine
CID 174256821
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 168781835
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 168782026
N-dibenzofuran-2-yl-N-(3-phenylphenyl)-26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine
CID 171416797
N-dibenzofuran-3-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
CID 170280138
N-[3-[3-(8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-yl)phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 170281304
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-triphenylen-2-ylaniline
CID 118180041
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)aniline
CID 118963196
N-dibenzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
CID 170280299
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-dibenzothiophen-2-yldibenzofuran-2-amine;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-4-phenylaniline
CID 159239461

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-azahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-yl)phenyl]-N-phenyldibenzofuran-2-amine?
The IUPAC name of N-[3-(1-azahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-yl)phenyl]-N-phenyldibenzofuran-2-amine (CID 154936811) is N-[3-(1-azahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-yl)phenyl]-N-phenyldibenzofuran-2-amine.
What is the SMILES notation for N-[3-(1-azahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-yl)phenyl]-N-phenyldibenzofuran-2-amine?
The canonical SMILES for N-[3-(1-azahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-yl)phenyl]-N-phenyldibenzofuran-2-amine is c1ccc(N(c2cccc(-c3ccc4c5ccc6cccc7c8ccccc8n(c4c3)c5c67)c2)c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of N-[3-(1-azahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-yl)phenyl]-N-phenyldibenzofuran-2-amine?
The InChIKey is OUEMBQRQJTZPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O/c1-2-12-32(13-3-1)47(34-22-25-44-40(28-34)37-16-5-7-19-43(37)49-44)33-14-8-11-30(26-33)31-21-23-36-39-24-20-29-10-9-17-38-35-15-4-6-18-41(35)48(42(36)27-31)46(39)45(29)38/h1-28H.
What are the key properties of N-[3-(1-azahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-yl)phenyl]-N-phenyldibenzofuran-2-amine?
N-[3-(1-azahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-yl)phenyl]-N-phenyldibenzofuran-2-amine has a molecular weight of 624.74 g/mol, XLogP of 13.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-azahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-yl)phenyl]-N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 154936811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).