4-[3-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene

C60H36O — CID 130188810

IUPAC4-[3-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene
SMILESc1ccc(-c2cc(-c3c4ccccc4c(-c4cccc(-c5ccc6c7ccccc7c7c8cc9ccccc9cc8oc7c6c5)c4)c4ccccc34)c3ccccc3c2)cc1
InChIInChI=1S/C60H36O/c1-2-15-37(16-3-1)44-32-42-19-6-7-22-45(42)53(35-44)58-51-27-12-10-25-49(51)57(50-26-11-13-28-52(50)58)43-21-14-20-38(31-43)41-29-30-47-46-23-8-9-24-48(46)59-55-34-39-17-4-5-18-40(39)36-56(55)61-60(59)54(47)33-41/h1-36H
InChIKeyJXFGRODEPLMEDC-UHFFFAOYSA-N
MW772.95 g/mol
LogP17.17
Rot. Bonds4

About 4-[3-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene

4-[3-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene (PubChem CID 130188810) has the molecular formula C60H36O and a molecular weight of 772.95 g/mol. Its IUPAC name is 4-[3-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene.

Molecular Properties

Compound Name4-[3-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene
PubChem CID130188810
Molecular FormulaC60H36O
Molecular Weight772.95 g/mol
Exact Mass772.28
IUPAC Name4-[3-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene
SMILESc1ccc(-c2cc(-c3c4ccccc4c(-c4cccc(-c5ccc6c7ccccc7c7c8cc9ccccc9cc8oc7c6c5)c4)c4ccccc34)c3ccccc3c2)cc1
InChIInChI=1S/C60H36O/c1-2-15-37(16-3-1)44-32-42-19-6-7-22-45(42)53(35-44)58-51-27-12-10-25-49(51)57(50-26-11-13-28-52(50)58)43-21-14-20-38(31-43)41-29-30-47-46-23-8-9-24-48(46)59-55-34-39-17-4-5-18-40(39)36-56(55)61-60(59)54(47)33-41/h1-36H
InChIKeyJXFGRODEPLMEDC-UHFFFAOYSA-N
XLogP17.17
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.95
LogP ≤ 517.17
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'}

Analyze 4-[3-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[6-[3-[10-[3-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]anthracen-9-yl]phenyl]naphthalen-2-yl]-18-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 135218995
2-[4-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 146652076
20-[4-(10-phenylanthracen-9-yl)phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 130188605
5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene
CID 130188759
17-[10-(3-phenylphenyl)anthracen-9-yl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 90433560
deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)-4-phenylnaphtho[2,3-b][1]benzofuran
CID 159175384
10-[10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]anthracen-9-yl]-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene
CID 153472139
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;2-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 167707786
6-[4-(10-phenylanthracen-9-yl)naphthalen-2-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 122425914
9-[6-[10-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)anthracen-9-yl]naphthalen-2-yl]-18-(10-phenanthren-9-ylanthracen-9-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15(20),16,18-decaene
CID 134420454
10-[10-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 121325314
8-[9-[10-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenanthren-3-yl]-1-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 167077211

Frequently Asked Questions

What is the IUPAC name of 4-[3-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene?
The IUPAC name of 4-[3-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene (CID 130188810) is 4-[3-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene.
What is the SMILES notation for 4-[3-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene?
The canonical SMILES for 4-[3-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene is c1ccc(-c2cc(-c3c4ccccc4c(-c4cccc(-c5ccc6c7ccccc7c7c8cc9ccccc9cc8oc7c6c5)c4)c4ccccc34)c3ccccc3c2)cc1.
What is the InChIKey of 4-[3-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene?
The InChIKey is JXFGRODEPLMEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36O/c1-2-15-37(16-3-1)44-32-42-19-6-7-22-45(42)53(35-44)58-51-27-12-10-25-49(51)57(50-26-11-13-28-52(50)58)43-21-14-20-38(31-43)41-29-30-47-46-23-8-9-24-48(46)59-55-34-39-17-4-5-18-40(39)36-56(55)61-60(59)54(47)33-41/h1-36H.
What are the key properties of 4-[3-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene?
4-[3-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene has a molecular weight of 772.95 g/mol, XLogP of 17.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene is sourced from PubChem (CID 130188810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).