8-[10-(7-phenylnaphthalen-1-yl)anthracen-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

C48H28O2 — CID 174289652

IUPAC8-[10-(7-phenylnaphthalen-1-yl)anthracen-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
SMILESc1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5cccc6c5oc5cc7oc8ccccc8c7cc56)c5ccccc45)c3c2)cc1
InChIInChI=1S/C48H28O2/c1-2-12-29(13-3-1)31-25-24-30-14-10-20-37(40(30)26-31)46-33-16-4-6-18-35(33)47(36-19-7-5-17-34(36)46)39-22-11-21-38-42-27-41-32-15-8-9-23-43(32)49-44(41)28-45(42)50-48(38)39/h1-28H
InChIKeyICTYTPFBGNUXAN-UHFFFAOYSA-N
MW636.75 g/mol
LogP13.95
Rot. Bonds3

About 8-[10-(7-phenylnaphthalen-1-yl)anthracen-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

8-[10-(7-phenylnaphthalen-1-yl)anthracen-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 (PubChem CID 174289652) has the molecular formula C48H28O2 and a molecular weight of 636.75 g/mol. Its IUPAC name is 8-[10-(7-phenylnaphthalen-1-yl)anthracen-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.

Molecular Properties

Compound Name8-[10-(7-phenylnaphthalen-1-yl)anthracen-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
PubChem CID174289652
Molecular FormulaC48H28O2
Molecular Weight636.75 g/mol
Exact Mass636.21
IUPAC Name8-[10-(7-phenylnaphthalen-1-yl)anthracen-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
SMILESc1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5cccc6c5oc5cc7oc8ccccc8c7cc56)c5ccccc45)c3c2)cc1
InChIInChI=1S/C48H28O2/c1-2-12-29(13-3-1)31-25-24-30-14-10-20-37(40(30)26-31)46-33-16-4-6-18-35(33)47(36-19-7-5-17-34(36)46)39-22-11-21-38-42-27-41-32-15-8-9-23-43(32)49-44(41)28-45(42)50-48(38)39/h1-28H
InChIKeyICTYTPFBGNUXAN-UHFFFAOYSA-N
XLogP13.95
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.75
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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 122426263
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran;2-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 158528042
4-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-(10-phenylanthracen-9-yl)dibenzofuran;4-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 158958080
4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 164758444
9,10-bis(3-phenylphenyl)anthracene;9,10-bis(4-phenylphenyl)anthracene;2-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran;9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-di(phenanthren-9-yl)anthracene
CID 159984681
4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58323634
2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran
CID 165011189
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 159891150
6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 146588752
3-butyl-6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 166930342
7-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12,16-dioxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14,17,19,21,23-undecaene
CID 130185438
2-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;10-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-phenyl-8-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]anthracen-9-yl]dibenzofuran
CID 158442186

Frequently Asked Questions

What is the IUPAC name of 8-[10-(7-phenylnaphthalen-1-yl)anthracen-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?
The IUPAC name of 8-[10-(7-phenylnaphthalen-1-yl)anthracen-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 174289652) is 8-[10-(7-phenylnaphthalen-1-yl)anthracen-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.
What is the SMILES notation for 8-[10-(7-phenylnaphthalen-1-yl)anthracen-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?
The canonical SMILES for 8-[10-(7-phenylnaphthalen-1-yl)anthracen-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 is c1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5cccc6c5oc5cc7oc8ccccc8c7cc56)c5ccccc45)c3c2)cc1.
What is the InChIKey of 8-[10-(7-phenylnaphthalen-1-yl)anthracen-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?
The InChIKey is ICTYTPFBGNUXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28O2/c1-2-12-29(13-3-1)31-25-24-30-14-10-20-37(40(30)26-31)46-33-16-4-6-18-35(33)47(36-19-7-5-17-34(36)46)39-22-11-21-38-42-27-41-32-15-8-9-23-43(32)49-44(41)28-45(42)50-48(38)39/h1-28H.
What are the key properties of 8-[10-(7-phenylnaphthalen-1-yl)anthracen-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?
8-[10-(7-phenylnaphthalen-1-yl)anthracen-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 has a molecular weight of 636.75 g/mol, XLogP of 13.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[10-(7-phenylnaphthalen-1-yl)anthracen-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 is sourced from PubChem (CID 174289652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).