16-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene

C57H36O2 — CID 130185529

IUPAC16-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6cc6c5oc5ccc7oc8ccccc8c7c56)cc4)c4ccccc34)cc21
InChIInChI=1S/C57H36O2/c1-57(2)46-21-11-9-15-38(46)39-28-27-36(32-47(39)57)52-42-18-7-5-16-40(42)51(41-17-6-8-19-43(41)52)33-23-25-34(26-24-33)53-37-14-4-3-13-35(37)31-45-55-50(59-56(45)53)30-29-49-54(55)44-20-10-12-22-48(44)58-49/h3-32H,1-2H3
InChIKeyDXIBIPBLRBGGAP-UHFFFAOYSA-N
MW752.91 g/mol
LogP16.25
Rot. Bonds3

About 16-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene

16-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene (PubChem CID 130185529) has the molecular formula C57H36O2 and a molecular weight of 752.91 g/mol. Its IUPAC name is 16-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene.

Molecular Properties

Compound Name16-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
PubChem CID130185529
Molecular FormulaC57H36O2
Molecular Weight752.91 g/mol
Exact Mass752.27
IUPAC Name16-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6cc6c5oc5ccc7oc8ccccc8c7c56)cc4)c4ccccc34)cc21
InChIInChI=1S/C57H36O2/c1-57(2)46-21-11-9-15-38(46)39-28-27-36(32-47(39)57)52-42-18-7-5-16-40(42)51(41-17-6-8-19-43(41)52)33-23-25-34(26-24-33)53-37-14-4-3-13-35(37)31-45-55-50(59-56(45)53)30-29-49-54(55)44-20-10-12-22-48(44)58-49/h3-32H,1-2H3
InChIKeyDXIBIPBLRBGGAP-UHFFFAOYSA-N
XLogP16.25
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.91
LogP ≤ 516.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 16-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene with MolForge

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Related Compounds

6-(9,9-dimethylfluoren-2-yl)-11-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran
CID 176777836
6-(9,9-dimethylfluoren-2-yl)-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran
CID 176777650
11-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran
CID 176777590
18-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene
CID 130213645
6-[10-(9,9-dimethylfluoren-2-yl)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 130213656
4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 177265135
6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122427406
6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 169295304
11-[10-(9,9-dimethylfluoren-2-yl)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
CID 134487897
N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295606
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine
CID 169296337
6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 169295994

Frequently Asked Questions

What is the IUPAC name of 16-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?
The IUPAC name of 16-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene (CID 130185529) is 16-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene.
What is the SMILES notation for 16-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?
The canonical SMILES for 16-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6cc6c5oc5ccc7oc8ccccc8c7c56)cc4)c4ccccc34)cc21.
What is the InChIKey of 16-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?
The InChIKey is DXIBIPBLRBGGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36O2/c1-57(2)46-21-11-9-15-38(46)39-28-27-36(32-47(39)57)52-42-18-7-5-16-40(42)51(41-17-6-8-19-43(41)52)33-23-25-34(26-24-33)53-37-14-4-3-13-35(37)31-45-55-50(59-56(45)53)30-29-49-54(55)44-20-10-12-22-48(44)58-49/h3-32H,1-2H3.
What are the key properties of 16-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?
16-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene has a molecular weight of 752.91 g/mol, XLogP of 16.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene is sourced from PubChem (CID 130185529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).