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

C65H50O2 — CID 164755367

IUPAC14,14-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
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(C4(c5cccc(-c6cccc7c6-c6ccccc6C7(C)C)c5)c5cc6c(cc5-c5c4ccc4c5-c5ccccc5C4(C)C)OCO6)c3)cccc21
InChIInChI=1S/C65H50O2/c1-62(2)48-26-10-7-21-44(48)58-42(24-15-29-51(58)62)38-17-13-19-40(33-38)65(41-20-14-18-39(34-41)43-25-16-30-52-59(43)45-22-8-11-27-49(45)63(52,3)4)54-32-31-53-60(46-23-9-12-28-50(46)64(53,5)6)61(54)47-35-56-57(36-55(47)65)67-37-66-56/h7-36H,37H2,1-6H3
InChIKeyQNIHCBVJYQYTDC-UHFFFAOYSA-N
MW863.11 g/mol
LogP16.03
Rot. Bonds4

About 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

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 (PubChem CID 164755367) has the molecular formula C65H50O2 and a molecular weight of 863.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14,14-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
PubChem CID164755367
Molecular FormulaC65H50O2
Molecular Weight863.11 g/mol
Exact Mass862.38
IUPAC Name14,14-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
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(C4(c5cccc(-c6cccc7c6-c6ccccc6C7(C)C)c5)c5cc6c(cc5-c5c4ccc4c5-c5ccccc5C4(C)C)OCO6)c3)cccc21
InChIInChI=1S/C65H50O2/c1-62(2)48-26-10-7-21-44(48)58-42(24-15-29-51(58)62)38-17-13-19-40(33-38)65(41-20-14-18-39(34-41)43-25-16-30-52-59(43)45-22-8-11-27-49(45)63(52,3)4)54-32-31-53-60(46-23-9-12-28-50(46)64(53,5)6)61(54)47-35-56-57(36-55(47)65)67-37-66-56/h7-36H,37H2,1-6H3
InChIKeyQNIHCBVJYQYTDC-UHFFFAOYSA-N
XLogP16.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.11
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 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

9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole
CID 164755577
14,14-bis(3-bromophenyl)-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 164755267
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
26'-tert-butyl-4',20'-bis(4-tert-butylphenyl)-9,9,29',29'-tetramethylspiro[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-14,12'-heptacyclo[28.2.2.12,6.17,11.113,17.118,22.023,28]octatriaconta-1(32),2,4,6(38),7(37),8,10,13,15,17(36),18(35),19,21,23(28),24,26,30,33-octadecaene]
CID 167048761
9,9-bis(3-bromophenyl)-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole
CID 155009263
9,9-bis(3,5-dibromophenyl)-5-phenylindeno[1,2-f][1,3]benzodioxole
CID 164755597
9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-methyl-5-phenylfluorene
CID 164755272
4'-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 140873469
9,9-bis(3,5-dibromophenyl)-5-(2-phenylphenyl)indeno[1,2-f][1,3]benzodioxole
CID 164755562
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
4-[3-[3-[9-[3-(3,5-ditert-butylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene
CID 140873499
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2c(-c3cccc(C4(c5cccc(-c6cccc7c6-c6ccccc6C7(C)C)c5)c5cc6c(cc5-c5c4ccc4c5-c5ccccc5C4(C)C)OCO6)c3)cccc21.
What is the InChIKey of 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?
The InChIKey is QNIHCBVJYQYTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H50O2/c1-62(2)48-26-10-7-21-44(48)58-42(24-15-29-51(58)62)38-17-13-19-40(33-38)65(41-20-14-18-39(34-41)43-25-16-30-52-59(43)45-22-8-11-27-49(45)63(52,3)4)54-32-31-53-60(46-23-9-12-28-50(46)64(53,5)6)61(54)47-35-56-57(36-55(47)65)67-37-66-56/h7-36H,37H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 863.11 g/mol, XLogP of 16.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164755367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).