1-(10-naphthalen-1-yl-2,3-diphenylanthracen-9-yl)-4-phenyldibenzofuran

C54H34O — CID 168795933

IUPAC1-(10-naphthalen-1-yl-2,3-diphenylanthracen-9-yl)-4-phenyldibenzofuran
SMILESc1ccc(-c2cc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccc(-c5ccccc5)c5oc6ccccc6c45)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C54H34O/c1-4-17-36(18-5-1)40-31-32-45(53-44-28-14-15-30-50(44)55-54(40)53)52-43-27-13-12-26-42(43)51(41-29-16-24-35-23-10-11-25-39(35)41)48-33-46(37-19-6-2-7-20-37)47(34-49(48)52)38-21-8-3-9-22-38/h1-34H
InChIKeyYUYXUUQMZQCYKD-UHFFFAOYSA-N
MW698.87 g/mol
LogP15.38
Rot. Bonds5

About 1-(10-naphthalen-1-yl-2,3-diphenylanthracen-9-yl)-4-phenyldibenzofuran

1-(10-naphthalen-1-yl-2,3-diphenylanthracen-9-yl)-4-phenyldibenzofuran (PubChem CID 168795933) has the molecular formula C54H34O and a molecular weight of 698.87 g/mol. Its IUPAC name is 1-(10-naphthalen-1-yl-2,3-diphenylanthracen-9-yl)-4-phenyldibenzofuran.

Molecular Properties

Compound Name1-(10-naphthalen-1-yl-2,3-diphenylanthracen-9-yl)-4-phenyldibenzofuran
PubChem CID168795933
Molecular FormulaC54H34O
Molecular Weight698.87 g/mol
Exact Mass698.26
IUPAC Name1-(10-naphthalen-1-yl-2,3-diphenylanthracen-9-yl)-4-phenyldibenzofuran
SMILESc1ccc(-c2cc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccc(-c5ccccc5)c5oc6ccccc6c45)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C54H34O/c1-4-17-36(18-5-1)40-31-32-45(53-44-28-14-15-30-50(44)55-54(40)53)52-43-27-13-12-26-42(43)51(41-29-16-24-35-23-10-11-25-39(35)41)48-33-46(37-19-6-2-7-20-37)47(34-49(48)52)38-21-8-3-9-22-38/h1-34H
InChIKeyYUYXUUQMZQCYKD-UHFFFAOYSA-N
XLogP15.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.87
LogP ≤ 515.38
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

4-naphthalen-1-yl-1-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 155335016
4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 138749852
4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]-1-[4-[3-phenyl-4-[10-(1-phenyldibenzofuran-4-yl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 155454220
4-[4-[10-(4-dibenzofuran-1-ylphenyl)anthracen-9-yl]-3-phenylphenyl]-1-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 148826059
4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 154970869
11-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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 122426995
4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58323634
1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 176751774
11-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene
CID 130213598
23-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(24),2(11),3,5,7,9,13,16,18,20,22-undecaene
CID 130190162
ethane;4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 143986146
5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 88568856

Frequently Asked Questions

What is the IUPAC name of 1-(10-naphthalen-1-yl-2,3-diphenylanthracen-9-yl)-4-phenyldibenzofuran?
The IUPAC name of 1-(10-naphthalen-1-yl-2,3-diphenylanthracen-9-yl)-4-phenyldibenzofuran (CID 168795933) is 1-(10-naphthalen-1-yl-2,3-diphenylanthracen-9-yl)-4-phenyldibenzofuran.
What is the SMILES notation for 1-(10-naphthalen-1-yl-2,3-diphenylanthracen-9-yl)-4-phenyldibenzofuran?
The canonical SMILES for 1-(10-naphthalen-1-yl-2,3-diphenylanthracen-9-yl)-4-phenyldibenzofuran is c1ccc(-c2cc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccc(-c5ccccc5)c5oc6ccccc6c45)c3cc2-c2ccccc2)cc1.
What is the InChIKey of 1-(10-naphthalen-1-yl-2,3-diphenylanthracen-9-yl)-4-phenyldibenzofuran?
The InChIKey is YUYXUUQMZQCYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34O/c1-4-17-36(18-5-1)40-31-32-45(53-44-28-14-15-30-50(44)55-54(40)53)52-43-27-13-12-26-42(43)51(41-29-16-24-35-23-10-11-25-39(35)41)48-33-46(37-19-6-2-7-20-37)47(34-49(48)52)38-21-8-3-9-22-38/h1-34H.
What are the key properties of 1-(10-naphthalen-1-yl-2,3-diphenylanthracen-9-yl)-4-phenyldibenzofuran?
1-(10-naphthalen-1-yl-2,3-diphenylanthracen-9-yl)-4-phenyldibenzofuran has a molecular weight of 698.87 g/mol, XLogP of 15.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-naphthalen-1-yl-2,3-diphenylanthracen-9-yl)-4-phenyldibenzofuran is sourced from PubChem (CID 168795933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).