11-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),6,10,12,14,16,18-octaene

C50H32O2 — CID 88995013

IUPAC11-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),6,10,12,14,16,18-octaene
SMILESC1=Cc2oc3c(-c4ccc(-c5c6ccccc6c(-c6ccc(-c7ccccc7)cc6)c6ccccc56)cc4)cc4c5ccccc5oc4c3c2CC1
InChIInChI=1S/C50H32O2/c1-2-12-31(13-3-1)32-22-26-34(27-23-32)46-37-15-4-6-17-39(37)47(40-18-7-5-16-38(40)46)35-28-24-33(25-29-35)42-30-43-36-14-8-10-20-44(36)51-50(43)48-41-19-9-11-21-45(41)52-49(42)48/h1-8,10-18,20-30H,9,19H2
InChIKeyABGSADMIMUVXIU-UHFFFAOYSA-N
MW664.80 g/mol
LogP14.27
Rot. Bonds4

About 11-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),6,10,12,14,16,18-octaene

11-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),6,10,12,14,16,18-octaene (PubChem CID 88995013) has the molecular formula C50H32O2 and a molecular weight of 664.80 g/mol. Its IUPAC name is 11-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),6,10,12,14,16,18-octaene.

Molecular Properties

Compound Name11-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),6,10,12,14,16,18-octaene
PubChem CID88995013
Molecular FormulaC50H32O2
Molecular Weight664.80 g/mol
Exact Mass664.24
IUPAC Name11-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),6,10,12,14,16,18-octaene
SMILESC1=Cc2oc3c(-c4ccc(-c5c6ccccc6c(-c6ccc(-c7ccccc7)cc6)c6ccccc56)cc4)cc4c5ccccc5oc4c3c2CC1
InChIInChI=1S/C50H32O2/c1-2-12-31(13-3-1)32-22-26-34(27-23-32)46-37-15-4-6-17-39(37)47(40-18-7-5-16-38(40)46)35-28-24-33(25-29-35)42-30-43-36-14-8-10-20-44(36)51-50(43)48-41-19-9-11-21-45(41)52-49(42)48/h1-8,10-18,20-30H,9,19H2
InChIKeyABGSADMIMUVXIU-UHFFFAOYSA-N
XLogP14.27
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.80
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),6,10,12,14,16,18-octaene with MolForge

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Related Compounds

9-(3,10-diphenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 175630373
6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 87631578
12-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16-octaene
CID 170014185
12-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),18-octaene
CID 149414760
6,8-diphenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170205377
2-bromo-4-(8,9-dihydrodibenzofuran-3-yl)dibenzofuran
CID 170051931
7-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
CID 155205865
7-[10-(2-phenylphenyl)-3,4-dihydroanthracen-9-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 144583429
4-[4-[8-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]pyren-1-yl]phenyl]dibenzofuran
CID 88912607
N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N,4-diphenylaniline
CID 167132748
7-[4-(10-phenylanthracen-9-yl)phenyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 130212470
12-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 88568798

Frequently Asked Questions

What is the IUPAC name of 11-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),6,10,12,14,16,18-octaene?
The IUPAC name of 11-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),6,10,12,14,16,18-octaene (CID 88995013) is 11-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),6,10,12,14,16,18-octaene.
What is the SMILES notation for 11-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),6,10,12,14,16,18-octaene?
The canonical SMILES for 11-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),6,10,12,14,16,18-octaene is C1=Cc2oc3c(-c4ccc(-c5c6ccccc6c(-c6ccc(-c7ccccc7)cc6)c6ccccc56)cc4)cc4c5ccccc5oc4c3c2CC1.
What is the InChIKey of 11-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),6,10,12,14,16,18-octaene?
The InChIKey is ABGSADMIMUVXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32O2/c1-2-12-31(13-3-1)32-22-26-34(27-23-32)46-37-15-4-6-17-39(37)47(40-18-7-5-16-38(40)46)35-28-24-33(25-29-35)42-30-43-36-14-8-10-20-44(36)51-50(43)48-41-19-9-11-21-45(41)52-49(42)48/h1-8,10-18,20-30H,9,19H2.
What are the key properties of 11-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),6,10,12,14,16,18-octaene?
11-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),6,10,12,14,16,18-octaene has a molecular weight of 664.80 g/mol, XLogP of 14.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),6,10,12,14,16,18-octaene is sourced from PubChem (CID 88995013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).