14,14-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,18,20-trioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene

C80H52O3 — CID 164755608

IUPAC14,14-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,18,20-trioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(C5(c6cccc(-c7cccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c7)c6)c6cc7c(cc6-c6c5ccc5oc8ccccc8c65)OCO7)c4)c3)c2)cc1
InChIInChI=1S/C80H52O3/c1-5-19-52(20-6-1)62-41-63(53-21-7-2-8-22-53)44-66(43-62)58-29-15-27-56(39-58)60-31-17-33-68(47-60)80(72-37-38-75-79(70-35-13-14-36-74(70)83-75)78(72)71-49-76-77(50-73(71)80)82-51-81-76)69-34-18-32-61(48-69)57-28-16-30-59(40-57)67-45-64(54-23-9-3-10-24-54)42-65(46-67)55-25-11-4-12-26-55/h1-50H,51H2
InChIKeyPTNVDNUBHLDDLD-UHFFFAOYSA-N
MW1061.29 g/mol
LogP21.01
Rot. Bonds10

About 14,14-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,18,20-trioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene

14,14-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,18,20-trioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene (PubChem CID 164755608) has the molecular formula C80H52O3 and a molecular weight of 1061.29 g/mol. Its IUPAC name is 14,14-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,18,20-trioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene.

Molecular Properties

Compound Name14,14-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,18,20-trioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene
PubChem CID164755608
Molecular FormulaC80H52O3
Molecular Weight1061.29 g/mol
Exact Mass1060.39
IUPAC Name14,14-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,18,20-trioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(C5(c6cccc(-c7cccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c7)c6)c6cc7c(cc6-c6c5ccc5oc8ccccc8c65)OCO7)c4)c3)c2)cc1
InChIInChI=1S/C80H52O3/c1-5-19-52(20-6-1)62-41-63(53-21-7-2-8-22-53)44-66(43-62)58-29-15-27-56(39-58)60-31-17-33-68(47-60)80(72-37-38-75-79(70-35-13-14-36-74(70)83-75)78(72)71-49-76-77(50-73(71)80)82-51-81-76)69-34-18-32-61(48-69)57-28-16-30-59(40-57)67-45-64(54-23-9-3-10-24-54)42-65(46-67)55-25-11-4-12-26-55/h1-50H,51H2
InChIKeyPTNVDNUBHLDDLD-UHFFFAOYSA-N
XLogP21.01
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.29
LogP ≤ 521.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 14,14-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,18,20-trioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene with MolForge

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Related Compounds

14,14-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-17-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 164755378
9,9-bis(3-bromophenyl)-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole
CID 155009263
14,14-bis(3,5-dibromophenyl)-17-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 154647072
9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;5-(3-phenylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]indeno[1,2-f][1,3]benzodioxole
CID 164977187
14,14-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-18,20-dioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene
CID 164755367
N-[4-(9-phenylfluoren-9-yl)phenyl]-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177280645
7'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine
CID 122504195
N-(4-dibenzofuran-3-ylphenyl)-7,9-diphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine
CID 163834349
N-(4-dibenzofuran-1-ylphenyl)-3-[6-(3,5-diphenylphenyl)-9,9-diphenylfluoren-3-yl]-N-phenylaniline
CID 156827028
2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 174361020
2-(6,9,9-triphenylfluoren-3-yl)dibenzofuran
CID 138474933
1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran
CID 154618828

Frequently Asked Questions

What is the IUPAC name of 14,14-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,18,20-trioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene?
The IUPAC name of 14,14-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,18,20-trioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene (CID 164755608) is 14,14-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,18,20-trioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene.
What is the SMILES notation for 14,14-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,18,20-trioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene?
The canonical SMILES for 14,14-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,18,20-trioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(C5(c6cccc(-c7cccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c7)c6)c6cc7c(cc6-c6c5ccc5oc8ccccc8c65)OCO7)c4)c3)c2)cc1.
What is the InChIKey of 14,14-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,18,20-trioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene?
The InChIKey is PTNVDNUBHLDDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H52O3/c1-5-19-52(20-6-1)62-41-63(53-21-7-2-8-22-53)44-66(43-62)58-29-15-27-56(39-58)60-31-17-33-68(47-60)80(72-37-38-75-79(70-35-13-14-36-74(70)83-75)78(72)71-49-76-77(50-73(71)80)82-51-81-76)69-34-18-32-61(48-69)57-28-16-30-59(40-57)67-45-64(54-23-9-3-10-24-54)42-65(46-67)55-25-11-4-12-26-55/h1-50H,51H2.
What are the key properties of 14,14-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,18,20-trioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene?
14,14-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,18,20-trioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene has a molecular weight of 1061.29 g/mol, XLogP of 21.01, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,18,20-trioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene is sourced from PubChem (CID 164755608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).