2-[10-(25,25-diphenyl-17-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran

C63H38O — CID 121431091

IUPAC2-[10-(25,25-diphenyl-17-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran
SMILESc1ccc(C2(c3ccccc3)c3c(cc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)c4ccccc34)-c3c2c2ccccc2c2ccccc32)cc1
InChIInChI=1S/C63H38O/c1-3-19-40(20-4-1)63(41-21-5-2-6-22-41)61-51-32-15-9-25-44(51)54(38-55(61)60-46-27-10-7-23-42(46)43-24-8-16-33-52(43)62(60)63)59-49-30-13-11-28-47(49)58(48-29-12-14-31-50(48)59)39-35-36-57-53(37-39)45-26-17-18-34-56(45)64-57/h1-38H
InChIKeyMYEIZOUIDDHZOL-UHFFFAOYSA-N
MW811.00 g/mol
LogP17.05
Rot. Bonds4

About 2-[10-(25,25-diphenyl-17-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran

2-[10-(25,25-diphenyl-17-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran (PubChem CID 121431091) has the molecular formula C63H38O and a molecular weight of 811.00 g/mol. Its IUPAC name is 2-[10-(25,25-diphenyl-17-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name2-[10-(25,25-diphenyl-17-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran
PubChem CID121431091
Molecular FormulaC63H38O
Molecular Weight811.00 g/mol
Exact Mass810.29
IUPAC Name2-[10-(25,25-diphenyl-17-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran
SMILESc1ccc(C2(c3ccccc3)c3c(cc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)c4ccccc34)-c3c2c2ccccc2c2ccccc32)cc1
InChIInChI=1S/C63H38O/c1-3-19-40(20-4-1)63(41-21-5-2-6-22-41)61-51-32-15-9-25-44(51)54(38-55(61)60-46-27-10-7-23-42(46)43-24-8-16-33-52(43)62(60)63)59-49-30-13-11-28-47(49)58(48-29-12-14-31-50(48)59)39-35-36-57-53(37-39)45-26-17-18-34-56(45)64-57/h1-38H
InChIKeyMYEIZOUIDDHZOL-UHFFFAOYSA-N
XLogP17.05
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.00
LogP ≤ 517.05
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 2-[10-(25,25-diphenyl-17-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran with MolForge

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Related Compounds

17-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-25,25-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 140725919
2-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]dibenzofuran
CID 164758476
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
2-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran
CID 58323704
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
2-[8-dibenzofuran-2-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran
CID 155333779
2-[10-[3-(21,21-dimethyl-19-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 121421502
2-[2-[10-(21,21-dimethyl-17-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 121421422
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
2-[10-(3-spiro[fluorene-9,25'-hexacyclo[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]-20'-ylphenyl)anthracen-9-yl]dibenzofuran
CID 137494278
19-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 154595920

Frequently Asked Questions

What is the IUPAC name of 2-[10-(25,25-diphenyl-17-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 2-[10-(25,25-diphenyl-17-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran (CID 121431091) is 2-[10-(25,25-diphenyl-17-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 2-[10-(25,25-diphenyl-17-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 2-[10-(25,25-diphenyl-17-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran is c1ccc(C2(c3ccccc3)c3c(cc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)c4ccccc34)-c3c2c2ccccc2c2ccccc32)cc1.
What is the InChIKey of 2-[10-(25,25-diphenyl-17-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran?
The InChIKey is MYEIZOUIDDHZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38O/c1-3-19-40(20-4-1)63(41-21-5-2-6-22-41)61-51-32-15-9-25-44(51)54(38-55(61)60-46-27-10-7-23-42(46)43-24-8-16-33-52(43)62(60)63)59-49-30-13-11-28-47(49)58(48-29-12-14-31-50(48)59)39-35-36-57-53(37-39)45-26-17-18-34-56(45)64-57/h1-38H.
What are the key properties of 2-[10-(25,25-diphenyl-17-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran?
2-[10-(25,25-diphenyl-17-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran has a molecular weight of 811.00 g/mol, XLogP of 17.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(25,25-diphenyl-17-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 121431091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).