N-[4-(9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-yl)phenyl]-N-dibenzofuran-3-ylpyridin-2-amine

C41H25N3O — CID 129208547

IUPACN-[4-(9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-yl)phenyl]-N-dibenzofuran-3-ylpyridin-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4[nH]c5c(c4c3)-c3cccc4cccc-5c34)cc2)c2ccc3c(c2)oc2ccccc23)nc1
InChIInChI=1S/C41H25N3O/c1-2-12-36-30(9-1)31-20-19-29(24-37(31)45-36)44(38-13-3-4-22-42-38)28-17-14-25(15-18-28)27-16-21-35-34(23-27)40-32-10-5-7-26-8-6-11-33(39(26)32)41(40)43-35/h1-24,43H
InChIKeyOIEWZHZSOAMERA-UHFFFAOYSA-N
MW575.67 g/mol
LogP11.40
Rot. Bonds4

About N-[4-(9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-yl)phenyl]-N-dibenzofuran-3-ylpyridin-2-amine

N-[4-(9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-yl)phenyl]-N-dibenzofuran-3-ylpyridin-2-amine (PubChem CID 129208547) has the molecular formula C41H25N3O and a molecular weight of 575.67 g/mol. Its IUPAC name is N-[4-(9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-yl)phenyl]-N-dibenzofuran-3-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[4-(9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-yl)phenyl]-N-dibenzofuran-3-ylpyridin-2-amine
PubChem CID129208547
Molecular FormulaC41H25N3O
Molecular Weight575.67 g/mol
Exact Mass575.20
IUPAC NameN-[4-(9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-yl)phenyl]-N-dibenzofuran-3-ylpyridin-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4[nH]c5c(c4c3)-c3cccc4cccc-5c34)cc2)c2ccc3c(c2)oc2ccccc23)nc1
InChIInChI=1S/C41H25N3O/c1-2-12-36-30(9-1)31-20-19-29(24-37(31)45-36)44(38-13-3-4-22-42-38)28-17-14-25(15-18-28)27-16-21-35-34(23-27)40-32-10-5-7-26-8-6-11-33(39(26)32)41(40)43-35/h1-24,43H
InChIKeyOIEWZHZSOAMERA-UHFFFAOYSA-N
XLogP11.40
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 511.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-yl)phenyl]-N-dibenzofuran-3-ylpyridin-2-amine with MolForge

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Related Compounds

N-dibenzofuran-3-yl-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)pyridin-2-amine
CID 148819210
N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 139352842
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[3-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 158679681
N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-6-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 153300583
N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 129085231
N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 121311323
N-(4-phenylphenyl)-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 160832647
N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 121311288
7-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N-dibenzofuran-2-yl-2-N,7-N-dipyridin-2-ylphenanthrene-2,7-diamine
CID 171736345
N-(3-phenylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 158852047

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-yl)phenyl]-N-dibenzofuran-3-ylpyridin-2-amine?
The IUPAC name of N-[4-(9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-yl)phenyl]-N-dibenzofuran-3-ylpyridin-2-amine (CID 129208547) is N-[4-(9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-yl)phenyl]-N-dibenzofuran-3-ylpyridin-2-amine.
What is the SMILES notation for N-[4-(9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-yl)phenyl]-N-dibenzofuran-3-ylpyridin-2-amine?
The canonical SMILES for N-[4-(9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-yl)phenyl]-N-dibenzofuran-3-ylpyridin-2-amine is c1ccc(N(c2ccc(-c3ccc4[nH]c5c(c4c3)-c3cccc4cccc-5c34)cc2)c2ccc3c(c2)oc2ccccc23)nc1.
What is the InChIKey of N-[4-(9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-yl)phenyl]-N-dibenzofuran-3-ylpyridin-2-amine?
The InChIKey is OIEWZHZSOAMERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O/c1-2-12-36-30(9-1)31-20-19-29(24-37(31)45-36)44(38-13-3-4-22-42-38)28-17-14-25(15-18-28)27-16-21-35-34(23-27)40-32-10-5-7-26-8-6-11-33(39(26)32)41(40)43-35/h1-24,43H.
What are the key properties of N-[4-(9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-yl)phenyl]-N-dibenzofuran-3-ylpyridin-2-amine?
N-[4-(9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-yl)phenyl]-N-dibenzofuran-3-ylpyridin-2-amine has a molecular weight of 575.67 g/mol, XLogP of 11.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-yl)phenyl]-N-dibenzofuran-3-ylpyridin-2-amine is sourced from PubChem (CID 129208547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).