2-phenyl-6-[10-[4-(3-phenylphenyl)phenyl]anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene

C52H32O — CID 176590367

IUPAC2-phenyl-6-[10-[4-(3-phenylphenyl)phenyl]anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
SMILESc1ccc(-c2cccc(-c3ccc(-c4c5ccccc5c(-c5cc6cccc7oc8c(-c9ccccc9)ccc5c8c67)c5ccccc45)cc3)c2)cc1
InChIInChI=1S/C52H32O/c1-3-13-33(14-4-1)37-17-11-18-38(31-37)34-25-27-36(28-26-34)48-41-20-7-9-22-43(41)50(44-23-10-8-21-42(44)48)46-32-39-19-12-24-47-49(39)51-45(46)30-29-40(52(51)53-47)35-15-5-2-6-16-35/h1-32H
InChIKeyATAXPNXKZHRIFT-UHFFFAOYSA-N
MW672.83 g/mol
LogP14.82
Rot. Bonds5

About 2-phenyl-6-[10-[4-(3-phenylphenyl)phenyl]anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene

2-phenyl-6-[10-[4-(3-phenylphenyl)phenyl]anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene (PubChem CID 176590367) has the molecular formula C52H32O and a molecular weight of 672.83 g/mol. Its IUPAC name is 2-phenyl-6-[10-[4-(3-phenylphenyl)phenyl]anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Name2-phenyl-6-[10-[4-(3-phenylphenyl)phenyl]anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
PubChem CID176590367
Molecular FormulaC52H32O
Molecular Weight672.83 g/mol
Exact Mass672.25
IUPAC Name2-phenyl-6-[10-[4-(3-phenylphenyl)phenyl]anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
SMILESc1ccc(-c2cccc(-c3ccc(-c4c5ccccc5c(-c5cc6cccc7oc8c(-c9ccccc9)ccc5c8c67)c5ccccc45)cc3)c2)cc1
InChIInChI=1S/C52H32O/c1-3-13-33(14-4-1)37-17-11-18-38(31-37)34-25-27-36(28-26-34)48-41-20-7-9-22-43(41)50(44-23-10-8-21-42(44)48)46-32-39-19-12-24-47-49(39)51-45(46)30-29-40(52(51)53-47)35-15-5-2-6-16-35/h1-32H
InChIKeyATAXPNXKZHRIFT-UHFFFAOYSA-N
XLogP14.82
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.83
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-[10-[3-(3-phenylphenyl)phenyl]anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
CID 162712240
6-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
CID 162712180
4-(10-naphthalen-1-ylanthracen-9-yl)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;6-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene;4-(10-phenylanthracen-9-yl)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;4-[10-(3-phenylphenyl)anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;4-[10-(4-phenylphenyl)anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 163900714
6-[10-(3-phenylnaphthalen-2-yl)anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
CID 162712320
1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;3-naphthalen-2-yl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran;4-phenyl-1-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 160759969
4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58323634
1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 176777662
9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-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 130185488
6-[3-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 88539783
2-phenyl-8-(10-phenylanthracen-9-yl)dibenzofuran;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 158099931
6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran
CID 129119407
4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene
CID 58672227

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[10-[4-(3-phenylphenyl)phenyl]anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene?
The IUPAC name of 2-phenyl-6-[10-[4-(3-phenylphenyl)phenyl]anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene (CID 176590367) is 2-phenyl-6-[10-[4-(3-phenylphenyl)phenyl]anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene.
What is the SMILES notation for 2-phenyl-6-[10-[4-(3-phenylphenyl)phenyl]anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene?
The canonical SMILES for 2-phenyl-6-[10-[4-(3-phenylphenyl)phenyl]anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene is c1ccc(-c2cccc(-c3ccc(-c4c5ccccc5c(-c5cc6cccc7oc8c(-c9ccccc9)ccc5c8c67)c5ccccc45)cc3)c2)cc1.
What is the InChIKey of 2-phenyl-6-[10-[4-(3-phenylphenyl)phenyl]anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene?
The InChIKey is ATAXPNXKZHRIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32O/c1-3-13-33(14-4-1)37-17-11-18-38(31-37)34-25-27-36(28-26-34)48-41-20-7-9-22-43(41)50(44-23-10-8-21-42(44)48)46-32-39-19-12-24-47-49(39)51-45(46)30-29-40(52(51)53-47)35-15-5-2-6-16-35/h1-32H.
What are the key properties of 2-phenyl-6-[10-[4-(3-phenylphenyl)phenyl]anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene?
2-phenyl-6-[10-[4-(3-phenylphenyl)phenyl]anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene has a molecular weight of 672.83 g/mol, XLogP of 14.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[10-[4-(3-phenylphenyl)phenyl]anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene is sourced from PubChem (CID 176590367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).