16-dibenzofuran-3-yl-5,10,13,13-tetramethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene

C35H27NO — CID 164799453

IUPAC16-dibenzofuran-3-yl-5,10,13,13-tetramethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
SMILESCc1ccc2c(c1)c1cc(C)cc3c1n2-c1ccc(-c2ccc4c(c2)oc2ccccc24)cc1C3(C)C
InChIInChI=1S/C35H27NO/c1-20-9-13-30-26(15-20)27-16-21(2)17-29-34(27)36(30)31-14-11-22(18-28(31)35(29,3)4)23-10-12-25-24-7-5-6-8-32(24)37-33(25)19-23/h5-19H,1-4H3
InChIKeyVPOAJDBIFMHYFP-UHFFFAOYSA-N
MW477.61 g/mol
LogP9.61
Rot. Bonds1

About 16-dibenzofuran-3-yl-5,10,13,13-tetramethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene

16-dibenzofuran-3-yl-5,10,13,13-tetramethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene (PubChem CID 164799453) has the molecular formula C35H27NO and a molecular weight of 477.61 g/mol. Its IUPAC name is 16-dibenzofuran-3-yl-5,10,13,13-tetramethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene.

Molecular Properties

Compound Name16-dibenzofuran-3-yl-5,10,13,13-tetramethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
PubChem CID164799453
Molecular FormulaC35H27NO
Molecular Weight477.61 g/mol
Exact Mass477.21
IUPAC Name16-dibenzofuran-3-yl-5,10,13,13-tetramethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
SMILESCc1ccc2c(c1)c1cc(C)cc3c1n2-c1ccc(-c2ccc4c(c2)oc2ccccc24)cc1C3(C)C
InChIInChI=1S/C35H27NO/c1-20-9-13-30-26(15-20)27-16-21(2)17-29-34(27)36(30)31-14-11-22(18-28(31)35(29,3)4)23-10-12-25-24-7-5-6-8-32(24)37-33(25)19-23/h5-19H,1-4H3
InChIKeyVPOAJDBIFMHYFP-UHFFFAOYSA-N
XLogP9.61
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 16-dibenzofuran-3-yl-5,10,13,13-tetramethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene with MolForge

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Related Compounds

5,10,13,13-tetramethyl-16-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
CID 164799461
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
5,10,16-tri(anthracen-9-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
CID 89074288
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzothiophen-3-amine
CID 164799529
3-dibenzofuran-3-yl-9-(3-methylphenyl)carbazole
CID 170131130
16-(2,6-dimethyl-10-phenylanthracen-9-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-5,10-dicarbonitrile
CID 146434700
2-methyl-7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223454
9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole
CID 155232494
3-(3-methylphenyl)dibenzofuran
CID 70924364
9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 159203970
5,10-bis(3,5-diphenylphenyl)-16-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
CID 88855514
2'-dibenzofuran-2-yl-10',10'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-anthracene]
CID 135140041

Frequently Asked Questions

What is the IUPAC name of 16-dibenzofuran-3-yl-5,10,13,13-tetramethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene?
The IUPAC name of 16-dibenzofuran-3-yl-5,10,13,13-tetramethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene (CID 164799453) is 16-dibenzofuran-3-yl-5,10,13,13-tetramethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene.
What is the SMILES notation for 16-dibenzofuran-3-yl-5,10,13,13-tetramethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene?
The canonical SMILES for 16-dibenzofuran-3-yl-5,10,13,13-tetramethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene is Cc1ccc2c(c1)c1cc(C)cc3c1n2-c1ccc(-c2ccc4c(c2)oc2ccccc24)cc1C3(C)C.
What is the InChIKey of 16-dibenzofuran-3-yl-5,10,13,13-tetramethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene?
The InChIKey is VPOAJDBIFMHYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27NO/c1-20-9-13-30-26(15-20)27-16-21(2)17-29-34(27)36(30)31-14-11-22(18-28(31)35(29,3)4)23-10-12-25-24-7-5-6-8-32(24)37-33(25)19-23/h5-19H,1-4H3.
What are the key properties of 16-dibenzofuran-3-yl-5,10,13,13-tetramethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene?
16-dibenzofuran-3-yl-5,10,13,13-tetramethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene has a molecular weight of 477.61 g/mol, XLogP of 9.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-dibenzofuran-3-yl-5,10,13,13-tetramethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene is sourced from PubChem (CID 164799453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).