3-dibenzofuran-3-yl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene

C32H19NO — CID 163834799

IUPAC3-dibenzofuran-3-yl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
SMILESc1ccc2cc3c(cc2c1)[nH]c1cc2ccccc2c(-c2ccc4c(c2)oc2ccccc24)c13
InChIInChI=1S/C32H19NO/c1-2-8-20-16-27-26(15-19(20)7-1)32-28(33-27)17-21-9-3-4-10-23(21)31(32)22-13-14-25-24-11-5-6-12-29(24)34-30(25)18-22/h1-18,33H
InChIKeyOGVDKYMDRKUTCE-UHFFFAOYSA-N
MW433.51 g/mol
LogP9.19
Rot. Bonds1

About 3-dibenzofuran-3-yl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene

3-dibenzofuran-3-yl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene (PubChem CID 163834799) has the molecular formula C32H19NO and a molecular weight of 433.51 g/mol. Its IUPAC name is 3-dibenzofuran-3-yl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene.

Molecular Properties

Compound Name3-dibenzofuran-3-yl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
PubChem CID163834799
Molecular FormulaC32H19NO
Molecular Weight433.51 g/mol
Exact Mass433.15
IUPAC Name3-dibenzofuran-3-yl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
SMILESc1ccc2cc3c(cc2c1)[nH]c1cc2ccccc2c(-c2ccc4c(c2)oc2ccccc24)c13
InChIInChI=1S/C32H19NO/c1-2-8-20-16-27-26(15-19(20)7-1)32-28(33-27)17-21-9-3-4-10-23(21)31(32)22-13-14-25-24-11-5-6-12-29(24)34-30(25)18-22/h1-18,33H
InChIKeyOGVDKYMDRKUTCE-UHFFFAOYSA-N
XLogP9.19
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 59.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-dibenzofuran-3-yl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene with MolForge

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Related Compounds

6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
CID 122425709
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CID 68932481
6-(10-naphthalen-2-ylanthracen-9-yl)-9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene
CID 130212342
3-[4-(2-phenanthren-9-ylphenyl)phenyl]dibenzofuran
CID 174107449
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
1-dibenzofuran-3-yl-6-[4-[3-[N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 156522847
7-(10-dibenzofuran-2-ylanthracen-9-yl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaene
CID 130190316
3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran
CID 138553319
6-(10-naphthalen-2-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 122426775
12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118151066
3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 153436594
2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 174315687

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-3-yl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
The IUPAC name of 3-dibenzofuran-3-yl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene (CID 163834799) is 3-dibenzofuran-3-yl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene.
What is the SMILES notation for 3-dibenzofuran-3-yl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
The canonical SMILES for 3-dibenzofuran-3-yl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene is c1ccc2cc3c(cc2c1)[nH]c1cc2ccccc2c(-c2ccc4c(c2)oc2ccccc24)c13.
What is the InChIKey of 3-dibenzofuran-3-yl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
The InChIKey is OGVDKYMDRKUTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19NO/c1-2-8-20-16-27-26(15-19(20)7-1)32-28(33-27)17-21-9-3-4-10-23(21)31(32)22-13-14-25-24-11-5-6-12-29(24)34-30(25)18-22/h1-18,33H.
What are the key properties of 3-dibenzofuran-3-yl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
3-dibenzofuran-3-yl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene has a molecular weight of 433.51 g/mol, XLogP of 9.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-3-yl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene is sourced from PubChem (CID 163834799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).