2-(1,2,3,4,5,6,7,8-octamethyl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran

C44H38O — CID 167687087

IUPAC2-(1,2,3,4,5,6,7,8-octamethyl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
SMILESCc1c(C)c(C)c2c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3c(C)c(C)c(C)c(C)c3c(-c3ccccc3)c2c1C
InChIInChI=1S/C44H38O/c1-23-25(3)29(7)41-39(27(23)5)43(31-14-10-9-11-15-31)40-28(6)24(2)26(4)30(8)42(40)44(41)34-18-19-37-35(21-34)36-20-32-16-12-13-17-33(32)22-38(36)45-37/h9-22H,1-8H3
InChIKeyPQHCOQXZHKOCIR-UHFFFAOYSA-N
MW582.79 g/mol
LogP12.85
Rot. Bonds2

About 2-(1,2,3,4,5,6,7,8-octamethyl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran

2-(1,2,3,4,5,6,7,8-octamethyl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran (PubChem CID 167687087) has the molecular formula C44H38O and a molecular weight of 582.79 g/mol. Its IUPAC name is 2-(1,2,3,4,5,6,7,8-octamethyl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name2-(1,2,3,4,5,6,7,8-octamethyl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
PubChem CID167687087
Molecular FormulaC44H38O
Molecular Weight582.79 g/mol
Exact Mass582.29
IUPAC Name2-(1,2,3,4,5,6,7,8-octamethyl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
SMILESCc1c(C)c(C)c2c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3c(C)c(C)c(C)c(C)c3c(-c3ccccc3)c2c1C
InChIInChI=1S/C44H38O/c1-23-25(3)29(7)41-39(27(23)5)43(31-14-10-9-11-15-31)40-28(6)24(2)26(4)30(8)42(40)44(41)34-18-19-37-35(21-34)36-20-32-16-12-13-17-33(32)22-38(36)45-37/h9-22H,1-8H3
InChIKeyPQHCOQXZHKOCIR-UHFFFAOYSA-N
XLogP12.85
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.79
LogP ≤ 512.85
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

2-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 167669544
CID 165025337
CID 165025337
2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 90433351
CID 174034888
CID 174034888
2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402744
2-[3-[(1Z)-buta-1,3-dienyl]-2-methyl-4-phenylnaphthalen-1-yl]naphtho[2,3-b][1]benzofuran
CID 167304376
2-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 167651141
2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 90433458
1-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 167687293
2-[1,2,3,4,5,6,7,8-octamethyl-10-(1,3,4,5,6,7,8,9,10-nonamethylphenanthren-2-yl)anthracen-9-yl]dibenzofuran
CID 167347055
2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 146606986
2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 160681067

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,5,6,7,8-octamethyl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?
The IUPAC name of 2-(1,2,3,4,5,6,7,8-octamethyl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran (CID 167687087) is 2-(1,2,3,4,5,6,7,8-octamethyl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 2-(1,2,3,4,5,6,7,8-octamethyl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 2-(1,2,3,4,5,6,7,8-octamethyl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran is Cc1c(C)c(C)c2c(-c3ccc4oc5cc6ccccc6cc5c4c3)c3c(C)c(C)c(C)c(C)c3c(-c3ccccc3)c2c1C.
What is the InChIKey of 2-(1,2,3,4,5,6,7,8-octamethyl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?
The InChIKey is PQHCOQXZHKOCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H38O/c1-23-25(3)29(7)41-39(27(23)5)43(31-14-10-9-11-15-31)40-28(6)24(2)26(4)30(8)42(40)44(41)34-18-19-37-35(21-34)36-20-32-16-12-13-17-33(32)22-38(36)45-37/h9-22H,1-8H3.
What are the key properties of 2-(1,2,3,4,5,6,7,8-octamethyl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?
2-(1,2,3,4,5,6,7,8-octamethyl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran has a molecular weight of 582.79 g/mol, XLogP of 12.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,5,6,7,8-octamethyl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 167687087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).