11-[3-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene

C48H30O2 — CID 163923293

IUPAC11-[3-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
SMILESC1=C(c2c3ccccc3c(-c3cccc(-c4cc5c6ccccc6oc5c5c4oc4ccccc45)c3)c3ccccc23)c2ccccc2CC1
InChIInChI=1S/C48H30O2/c1-2-17-32-29(13-1)14-12-24-34(32)45-37-21-5-3-19-35(37)44(36-20-4-6-22-38(36)45)31-16-11-15-30(27-31)40-28-41-33-18-7-9-25-42(33)49-48(41)46-39-23-8-10-26-43(39)50-47(40)46/h1-11,13,15-28H,12,14H2
InChIKeyRCHJDPOFZVLVFI-UHFFFAOYSA-N
MW638.77 g/mol
LogP13.50
Rot. Bonds3

About 11-[3-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene

11-[3-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene (PubChem CID 163923293) has the molecular formula C48H30O2 and a molecular weight of 638.77 g/mol. Its IUPAC name is 11-[3-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene.

Molecular Properties

Compound Name11-[3-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
PubChem CID163923293
Molecular FormulaC48H30O2
Molecular Weight638.77 g/mol
Exact Mass638.22
IUPAC Name11-[3-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
SMILESC1=C(c2c3ccccc3c(-c3cccc(-c4cc5c6ccccc6oc5c5c4oc4ccccc45)c3)c3ccccc23)c2ccccc2CC1
InChIInChI=1S/C48H30O2/c1-2-17-32-29(13-1)14-12-24-34(32)45-37-21-5-3-19-35(37)44(36-20-4-6-22-38(36)45)31-16-11-15-30(27-31)40-28-41-33-18-7-9-25-42(33)49-48(41)46-39-23-8-10-26-43(39)50-47(40)46/h1-11,13,15-28H,12,14H2
InChIKeyRCHJDPOFZVLVFI-UHFFFAOYSA-N
XLogP13.50
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11-[3-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene with MolForge

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Related Compounds

11-[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
CID 88568977
4-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]-2-phenyl-[1]benzothiolo[6,5-b][1]benzofuran
CID 174255585
6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 86667299
16-[3-(10-phenylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130185277
11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1,3,5,7,10,12,14(23),15,17,19,21-undecaene
CID 90209334
5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;5-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 159515776
6-[3-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 88539783
11-(10-phenylanthracen-9-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 130212291
20-(10-phenylanthracen-9-yl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene
CID 163723862
6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran
CID 129119407
8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 177089190
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794

Frequently Asked Questions

What is the IUPAC name of 11-[3-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene?
The IUPAC name of 11-[3-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene (CID 163923293) is 11-[3-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene.
What is the SMILES notation for 11-[3-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene?
The canonical SMILES for 11-[3-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene is C1=C(c2c3ccccc3c(-c3cccc(-c4cc5c6ccccc6oc5c5c4oc4ccccc45)c3)c3ccccc23)c2ccccc2CC1.
What is the InChIKey of 11-[3-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene?
The InChIKey is RCHJDPOFZVLVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O2/c1-2-17-32-29(13-1)14-12-24-34(32)45-37-21-5-3-19-35(37)44(36-20-4-6-22-38(36)45)31-16-11-15-30(27-31)40-28-41-33-18-7-9-25-42(33)49-48(41)46-39-23-8-10-26-43(39)50-47(40)46/h1-11,13,15-28H,12,14H2.
What are the key properties of 11-[3-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene?
11-[3-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene has a molecular weight of 638.77 g/mol, XLogP of 13.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene is sourced from PubChem (CID 163923293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).