N-(2-dibenzofuran-3-ylphenyl)-10-phenylanthracen-9-amine

C38H25NO — CID 90128096

IUPACN-(2-dibenzofuran-3-ylphenyl)-10-phenylanthracen-9-amine
SMILESc1ccc(-c2c3ccccc3c(Nc3ccccc3-c3ccc4c(c3)oc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C38H25NO/c1-2-12-25(13-3-1)37-30-16-4-6-18-32(30)38(33-19-7-5-17-31(33)37)39-34-20-10-8-14-27(34)26-22-23-29-28-15-9-11-21-35(28)40-36(29)24-26/h1-24,39H
InChIKeyJAAYGQGCQNTXMS-UHFFFAOYSA-N
MW511.62 g/mol
LogP10.97
Rot. Bonds4

About N-(2-dibenzofuran-3-ylphenyl)-10-phenylanthracen-9-amine

N-(2-dibenzofuran-3-ylphenyl)-10-phenylanthracen-9-amine (PubChem CID 90128096) has the molecular formula C38H25NO and a molecular weight of 511.62 g/mol. Its IUPAC name is N-(2-dibenzofuran-3-ylphenyl)-10-phenylanthracen-9-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-3-ylphenyl)-10-phenylanthracen-9-amine
PubChem CID90128096
Molecular FormulaC38H25NO
Molecular Weight511.62 g/mol
Exact Mass511.19
IUPAC NameN-(2-dibenzofuran-3-ylphenyl)-10-phenylanthracen-9-amine
SMILESc1ccc(-c2c3ccccc3c(Nc3ccccc3-c3ccc4c(c3)oc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C38H25NO/c1-2-12-25(13-3-1)37-30-16-4-6-18-32(30)38(33-19-7-5-17-31(33)37)39-34-20-10-8-14-27(34)26-22-23-29-28-15-9-11-21-35(28)40-36(29)24-26/h1-24,39H
InChIKeyJAAYGQGCQNTXMS-UHFFFAOYSA-N
XLogP10.97
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.62
LogP ≤ 510.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran
CID 155334112
3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 118671052
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
2-[4-[3-(2-anilinophenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)aniline
CID 118534074
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
2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164786
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
2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 171447273
3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran
CID 138553319
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
7-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-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 122415848
3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 170249915

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-3-ylphenyl)-10-phenylanthracen-9-amine?
The IUPAC name of N-(2-dibenzofuran-3-ylphenyl)-10-phenylanthracen-9-amine (CID 90128096) is N-(2-dibenzofuran-3-ylphenyl)-10-phenylanthracen-9-amine.
What is the SMILES notation for N-(2-dibenzofuran-3-ylphenyl)-10-phenylanthracen-9-amine?
The canonical SMILES for N-(2-dibenzofuran-3-ylphenyl)-10-phenylanthracen-9-amine is c1ccc(-c2c3ccccc3c(Nc3ccccc3-c3ccc4c(c3)oc3ccccc34)c3ccccc23)cc1.
What is the InChIKey of N-(2-dibenzofuran-3-ylphenyl)-10-phenylanthracen-9-amine?
The InChIKey is JAAYGQGCQNTXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25NO/c1-2-12-25(13-3-1)37-30-16-4-6-18-32(30)38(33-19-7-5-17-31(33)37)39-34-20-10-8-14-27(34)26-22-23-29-28-15-9-11-21-35(28)40-36(29)24-26/h1-24,39H.
What are the key properties of N-(2-dibenzofuran-3-ylphenyl)-10-phenylanthracen-9-amine?
N-(2-dibenzofuran-3-ylphenyl)-10-phenylanthracen-9-amine has a molecular weight of 511.62 g/mol, XLogP of 10.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-3-ylphenyl)-10-phenylanthracen-9-amine is sourced from PubChem (CID 90128096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).