4-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran

C50H30O — CID 122415609

IUPAC4-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5ccc5oc7ccccc7c56)c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C50H30O/c1-2-13-32-30-33(25-24-31(32)12-1)48-40-16-5-7-18-42(40)49(43-19-8-6-17-41(43)48)44-27-26-37(34-14-3-4-15-36(34)44)35-21-11-22-39-38(35)28-29-47-50(39)45-20-9-10-23-46(45)51-47/h1-30H
InChIKeyYPIGKXQEQYXPQX-UHFFFAOYSA-N
MW646.79 g/mol
LogP14.35
Rot. Bonds3

About 4-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran

4-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran (PubChem CID 122415609) has the molecular formula C50H30O and a molecular weight of 646.79 g/mol. Its IUPAC name is 4-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name4-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
PubChem CID122415609
Molecular FormulaC50H30O
Molecular Weight646.79 g/mol
Exact Mass646.23
IUPAC Name4-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5ccc5oc7ccccc7c56)c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C50H30O/c1-2-13-32-30-33(25-24-31(32)12-1)48-40-16-5-7-18-42(40)49(43-19-8-6-17-41(43)48)44-27-26-37(34-14-3-4-15-36(34)44)35-21-11-22-39-38(35)28-29-47-50(39)45-20-9-10-23-46(45)51-47/h1-30H
InChIKeyYPIGKXQEQYXPQX-UHFFFAOYSA-N
XLogP14.35
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.79
LogP ≤ 514.35
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-(10-naphthalen-2-ylanthracen-9-yl)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 177264880
4-(10-naphthalen-2-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 167187041
1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 176862831
1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 146651916
9-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 134487809
9-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 130185432
1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 118563907
4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 177265087
1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 170653754
5-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 134487561
2-[10-[7-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 170448218
6-(10-naphthalen-2-ylanthracen-9-yl)-9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene
CID 130212342

Frequently Asked Questions

What is the IUPAC name of 4-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran?
The IUPAC name of 4-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran (CID 122415609) is 4-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 4-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 4-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran is c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5ccc5oc7ccccc7c56)c5ccccc45)c4ccccc34)ccc2c1.
What is the InChIKey of 4-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran?
The InChIKey is YPIGKXQEQYXPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30O/c1-2-13-32-30-33(25-24-31(32)12-1)48-40-16-5-7-18-42(40)49(43-19-8-6-17-41(43)48)44-27-26-37(34-14-3-4-15-36(34)44)35-21-11-22-39-38(35)28-29-47-50(39)45-20-9-10-23-46(45)51-47/h1-30H.
What are the key properties of 4-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran?
4-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran has a molecular weight of 646.79 g/mol, XLogP of 14.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 122415609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).