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

C108H64O2 — CID 135218995

IUPAC4-[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
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6c(c5)oc5c7cc(-c8ccc9cc(-c%10cccc(-c%11c%12ccccc%12c(-c%12cccc(-c%13ccc%14c(c%13)oc%13c%15ccccc%15c%15ccccc%15c%14%13)c%12)c%12ccccc%11%12)c%10)ccc9c8)ccc7c7ccccc7c65)c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C108H64O2/c1-2-21-65(22-3-1)66-43-45-67(46-44-66)101-87-34-9-11-36-89(87)102(90-37-12-10-35-88(90)101)79-27-19-25-70(60-79)77-53-56-97-100(64-77)110-108-98-62-75(51-54-84(98)82-30-5-8-33-86(82)106(97)108)74-50-49-72-57-71(47-48-73(72)58-74)68-23-18-26-78(59-68)103-91-38-13-15-40-93(91)104(94-41-16-14-39-92(94)103)80-28-20-24-69(61-80)76-52-55-96-99(63-76)109-107-95-42-17-6-31-83(95)81-29-4-7-32-85(81)105(96)107/h1-64H
InChIKeyKGHURAZAOXVDCG-UHFFFAOYSA-N
MW1393.70 g/mol
LogP30.87
Rot. Bonds9

About 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

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 (PubChem CID 135218995) has the molecular formula C108H64O2 and a molecular weight of 1393.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID135218995
Molecular FormulaC108H64O2
Molecular Weight1393.70 g/mol
Exact Mass1392.49
IUPAC Name4-[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
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6c(c5)oc5c7cc(-c8ccc9cc(-c%10cccc(-c%11c%12ccccc%12c(-c%12cccc(-c%13ccc%14c(c%13)oc%13c%15ccccc%15c%15ccccc%15c%14%13)c%12)c%12ccccc%11%12)c%10)ccc9c8)ccc7c7ccccc7c65)c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C108H64O2/c1-2-21-65(22-3-1)66-43-45-67(46-44-66)101-87-34-9-11-36-89(87)102(90-37-12-10-35-88(90)101)79-27-19-25-70(60-79)77-53-56-97-100(64-77)110-108-98-62-75(51-54-84(98)82-30-5-8-33-86(82)106(97)108)74-50-49-72-57-71(47-48-73(72)58-74)68-23-18-26-78(59-68)103-91-38-13-15-40-93(91)104(94-41-16-14-39-92(94)103)80-28-20-24-69(61-80)76-52-55-96-99(63-76)109-107-95-42-17-6-31-83(95)81-29-4-7-32-85(81)105(96)107/h1-64H
InChIKeyKGHURAZAOXVDCG-UHFFFAOYSA-N
XLogP30.87
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001393.70
LogP ≤ 530.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[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 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

18-phenyl-5-(3-phenylphenyl)-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 118933535
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
6-(10-naphthalen-2-ylanthracen-9-yl)-21-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59182812
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
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
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
18-[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]-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 118402724
20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene
CID 130188724
3-[6-[4-[10-dibenzofuran-3-yl-3-(9-dibenzofuran-3-yl-10-phenylanthracen-2-yl)anthracen-9-yl]phenyl]naphthalen-2-yl]-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 175620760
6-[10-(4-phenylphenyl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
CID 163460893
21-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene
CID 130188687
6-(10-naphthalen-2-ylanthracen-9-yl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene
CID 163952307

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6c(c5)oc5c7cc(-c8ccc9cc(-c%10cccc(-c%11c%12ccccc%12c(-c%12cccc(-c%13ccc%14c(c%13)oc%13c%15ccccc%15c%15ccccc%15c%14%13)c%12)c%12ccccc%11%12)c%10)ccc9c8)ccc7c7ccccc7c65)c4)c4ccccc34)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is KGHURAZAOXVDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H64O2/c1-2-21-65(22-3-1)66-43-45-67(46-44-66)101-87-34-9-11-36-89(87)102(90-37-12-10-35-88(90)101)79-27-19-25-70(60-79)77-53-56-97-100(64-77)110-108-98-62-75(51-54-84(98)82-30-5-8-33-86(82)106(97)108)74-50-49-72-57-71(47-48-73(72)58-74)68-23-18-26-78(59-68)103-91-38-13-15-40-93(91)104(94-41-16-14-39-92(94)103)80-28-20-24-69(61-80)76-52-55-96-99(63-76)109-107-95-42-17-6-31-83(95)81-29-4-7-32-85(81)105(96)107/h1-64H.
What are the key properties of 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?
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 has a molecular weight of 1393.70 g/mol, XLogP of 30.87, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135218995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).