1-(10-benzo[f][1]benzofuran-2-ylanthracen-9-yl)dibenzofuran

C38H22O2 — CID 174306698

IUPAC1-(10-benzo[f][1]benzofuran-2-ylanthracen-9-yl)dibenzofuran
SMILESc1ccc2cc3oc(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5ccccc45)cc3cc2c1
InChIInChI=1S/C38H22O2/c1-2-11-24-21-34-25(20-23(24)10-1)22-35(40-34)37-28-14-5-3-12-26(28)36(27-13-4-6-15-29(27)37)31-17-9-19-33-38(31)30-16-7-8-18-32(30)39-33/h1-22H
InChIKeyBRTCUEOEGLVQMT-UHFFFAOYSA-N
MW510.59 g/mol
LogP11.13
Rot. Bonds2

About 1-(10-benzo[f][1]benzofuran-2-ylanthracen-9-yl)dibenzofuran

1-(10-benzo[f][1]benzofuran-2-ylanthracen-9-yl)dibenzofuran (PubChem CID 174306698) has the molecular formula C38H22O2 and a molecular weight of 510.59 g/mol. Its IUPAC name is 1-(10-benzo[f][1]benzofuran-2-ylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name1-(10-benzo[f][1]benzofuran-2-ylanthracen-9-yl)dibenzofuran
PubChem CID174306698
Molecular FormulaC38H22O2
Molecular Weight510.59 g/mol
Exact Mass510.16
IUPAC Name1-(10-benzo[f][1]benzofuran-2-ylanthracen-9-yl)dibenzofuran
SMILESc1ccc2cc3oc(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5ccccc45)cc3cc2c1
InChIInChI=1S/C38H22O2/c1-2-11-24-21-34-25(20-23(24)10-1)22-35(40-34)37-28-14-5-3-12-26(28)36(27-13-4-6-15-29(27)37)31-17-9-19-33-38(31)30-16-7-8-18-32(30)39-33/h1-22H
InChIKeyBRTCUEOEGLVQMT-UHFFFAOYSA-N
XLogP11.13
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.59
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran
CID 176744869
2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran
CID 176743173
1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 122415544
11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
CID 155334130
5-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[6,5-b][1]benzofuran
CID 174254499
6-[4-(10-dibenzofuran-1-ylanthracen-9-yl)naphthalen-1-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
CID 162712329
1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 170448028
1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 176862831
1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 170653754
11-(10-dibenzofuran-1-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166897090
1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 146651916
4-[4-[10-(1-benzofuran-2-yl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 177094657

Frequently Asked Questions

What is the IUPAC name of 1-(10-benzo[f][1]benzofuran-2-ylanthracen-9-yl)dibenzofuran?
The IUPAC name of 1-(10-benzo[f][1]benzofuran-2-ylanthracen-9-yl)dibenzofuran (CID 174306698) is 1-(10-benzo[f][1]benzofuran-2-ylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 1-(10-benzo[f][1]benzofuran-2-ylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 1-(10-benzo[f][1]benzofuran-2-ylanthracen-9-yl)dibenzofuran is c1ccc2cc3oc(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5ccccc45)cc3cc2c1.
What is the InChIKey of 1-(10-benzo[f][1]benzofuran-2-ylanthracen-9-yl)dibenzofuran?
The InChIKey is BRTCUEOEGLVQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22O2/c1-2-11-24-21-34-25(20-23(24)10-1)22-35(40-34)37-28-14-5-3-12-26(28)36(27-13-4-6-15-29(27)37)31-17-9-19-33-38(31)30-16-7-8-18-32(30)39-33/h1-22H.
What are the key properties of 1-(10-benzo[f][1]benzofuran-2-ylanthracen-9-yl)dibenzofuran?
1-(10-benzo[f][1]benzofuran-2-ylanthracen-9-yl)dibenzofuran has a molecular weight of 510.59 g/mol, XLogP of 11.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-benzo[f][1]benzofuran-2-ylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 174306698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).