2-(2,3,6,7-tetradeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran

C36H22O — CID 167406624

IUPAC2-(2,3,6,7-tetradeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
SMILES[2H]c1cc2c(-c3ccc4ccccc4c3)c3cc([2H])c([2H])cc3c(-c3ccc4oc5ccccc5c4c3)c2cc1[2H]
InChIInChI=1S/C36H22O/c1-2-10-24-21-25(18-17-23(24)9-1)35-28-12-3-5-14-30(28)36(31-15-6-4-13-29(31)35)26-19-20-34-32(22-26)27-11-7-8-16-33(27)37-34/h1-22H/i3D,4D,5D,6D
InChIKeyUYEFMAMRNKBMMP-LNFUJOGGSA-N
MW474.60 g/mol
LogP10.38
Rot. Bonds2

About 2-(2,3,6,7-tetradeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran

2-(2,3,6,7-tetradeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran (PubChem CID 167406624) has the molecular formula C36H22O and a molecular weight of 474.60 g/mol. Its IUPAC name is 2-(2,3,6,7-tetradeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name2-(2,3,6,7-tetradeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
PubChem CID167406624
Molecular FormulaC36H22O
Molecular Weight474.60 g/mol
Exact Mass474.19
IUPAC Name2-(2,3,6,7-tetradeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
SMILES[2H]c1cc2c(-c3ccc4ccccc4c3)c3cc([2H])c([2H])cc3c(-c3ccc4oc5ccccc5c4c3)c2cc1[2H]
InChIInChI=1S/C36H22O/c1-2-10-24-21-25(18-17-23(24)9-1)35-28-12-3-5-14-30(28)36(31-15-6-4-13-29(31)35)26-19-20-34-32(22-26)27-11-7-8-16-33(27)37-34/h1-22H/i3D,4D,5D,6D
InChIKeyUYEFMAMRNKBMMP-LNFUJOGGSA-N
XLogP10.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]dibenzofuran
CID 174296945
2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 174315687
2-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 167407319
9-(3-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165028790
2-[10-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)anthracen-9-yl]dibenzofuran
CID 167411828
2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran
CID 58194354
2-(9,10-dinaphthalen-2-ylanthracen-1-yl)dibenzofuran
CID 58323672
7-(9,10-dinaphthalen-2-ylanthracen-2-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 88568993
7-[4-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 130188835
3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 153436594
2-[2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536112
2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402714

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,6,7-tetradeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran?
The IUPAC name of 2-(2,3,6,7-tetradeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran (CID 167406624) is 2-(2,3,6,7-tetradeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 2-(2,3,6,7-tetradeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 2-(2,3,6,7-tetradeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran is [2H]c1cc2c(-c3ccc4ccccc4c3)c3cc([2H])c([2H])cc3c(-c3ccc4oc5ccccc5c4c3)c2cc1[2H].
What is the InChIKey of 2-(2,3,6,7-tetradeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran?
The InChIKey is UYEFMAMRNKBMMP-LNFUJOGGSA-N. The full InChI is InChI=1S/C36H22O/c1-2-10-24-21-25(18-17-23(24)9-1)35-28-12-3-5-14-30(28)36(31-15-6-4-13-29(31)35)26-19-20-34-32(22-26)27-11-7-8-16-33(27)37-34/h1-22H/i3D,4D,5D,6D.
What are the key properties of 2-(2,3,6,7-tetradeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran?
2-(2,3,6,7-tetradeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran has a molecular weight of 474.60 g/mol, XLogP of 10.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,6,7-tetradeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 167406624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).