3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran

C50H30O — CID 138553319

IUPAC3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran
SMILESc1ccc2c(c1)-c1ccccc1-c1ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)cc1-c1ccccc1-2
InChIInChI=1S/C50H30O/c1-2-14-34-33(13-1)35-15-3-4-17-37(35)39-27-25-31(29-46(39)38-18-6-5-16-36(34)38)49-42-20-7-9-22-44(42)50(45-23-10-8-21-43(45)49)32-26-28-41-40-19-11-12-24-47(40)51-48(41)30-32/h1-30H/b35-33-,36-34-,39-37-,46-38-
InChIKeyBZIGHHWEGOVHBR-UDBDZZSJSA-N
MW646.79 g/mol
LogP14.21
Rot. Bonds2

About 3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran

3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran (PubChem CID 138553319) has the molecular formula C50H30O and a molecular weight of 646.79 g/mol. Its IUPAC name is 3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran
PubChem CID138553319
Molecular FormulaC50H30O
Molecular Weight646.79 g/mol
Exact Mass646.23
IUPAC Name3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran
SMILESc1ccc2c(c1)-c1ccccc1-c1ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)cc1-c1ccccc1-2
InChIInChI=1S/C50H30O/c1-2-14-34-33(13-1)35-15-3-4-17-37(35)39-27-25-31(29-46(39)38-18-6-5-16-36(34)38)49-42-20-7-9-22-44(42)50(45-23-10-8-21-43(45)49)32-26-28-41-40-19-11-12-24-47(40)51-48(41)30-32/h1-30H/b35-33-,36-34-,39-37-,46-38-
InChIKeyBZIGHHWEGOVHBR-UDBDZZSJSA-N
XLogP14.21
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.79
LogP ≤ 514.21
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

3-[10-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)anthracen-9-yl]dibenzofuran
CID 155475477
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 170654309
3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 118671052
7-(10-phenylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122425853
3-[10-(3,5-dimethylphenyl)anthracen-9-yl]dibenzofuran
CID 58991814
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
7-(10-naphthalen-1-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122425860
3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran
CID 155334112
3-[4-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 155454054
2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 171447273

Frequently Asked Questions

What is the IUPAC name of 3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran?
The IUPAC name of 3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran (CID 138553319) is 3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran is c1ccc2c(c1)-c1ccccc1-c1ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)cc1-c1ccccc1-2.
What is the InChIKey of 3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran?
The InChIKey is BZIGHHWEGOVHBR-UDBDZZSJSA-N. The full InChI is InChI=1S/C50H30O/c1-2-14-34-33(13-1)35-15-3-4-17-37(35)39-27-25-31(29-46(39)38-18-6-5-16-36(34)38)49-42-20-7-9-22-44(42)50(45-23-10-8-21-43(45)49)32-26-28-41-40-19-11-12-24-47(40)51-48(41)30-32/h1-30H/b35-33-,36-34-,39-37-,46-38-.
What are the key properties of 3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran?
3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran has a molecular weight of 646.79 g/mol, XLogP of 14.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 138553319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).