3-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene

C58H42 — CID 169295471

IUPAC3-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
SMILESCC1(C)c2ccccc2-c2ccc(C(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3cc5ccccc5c(-c5cccc6c5Cc5ccccc5-6)c3C4)cc21
InChIInChI=1S/C58H42/c1-58(2)54-22-11-10-19-47(54)48-30-29-43(35-55(48)58)56(38-25-23-37(24-26-38)36-13-4-3-5-14-36)42-28-27-41-33-53-52(50(41)34-42)32-40-16-7-9-18-45(40)57(53)49-21-12-20-46-44-17-8-6-15-39(44)31-51(46)49/h3-30,32,34-35,56H,31,33H2,1-2H3
InChIKeySVUTWNJBDQPZMX-UHFFFAOYSA-N
MW738.97 g/mol
LogP14.80
Rot. Bonds5

About 3-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene

3-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene (PubChem CID 169295471) has the molecular formula C58H42 and a molecular weight of 738.97 g/mol. Its IUPAC name is 3-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene.

Molecular Properties

Compound Name3-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
PubChem CID169295471
Molecular FormulaC58H42
Molecular Weight738.97 g/mol
Exact Mass738.33
IUPAC Name3-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
SMILESCC1(C)c2ccccc2-c2ccc(C(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3cc5ccccc5c(-c5cccc6c5Cc5ccccc5-6)c3C4)cc21
InChIInChI=1S/C58H42/c1-58(2)54-22-11-10-19-47(54)48-30-29-43(35-55(48)58)56(38-25-23-37(24-26-38)36-13-4-3-5-14-36)42-28-27-41-33-53-52(50(41)34-42)32-40-16-7-9-18-45(40)57(53)49-21-12-20-46-44-17-8-6-15-39(44)31-51(46)49/h3-30,32,34-35,56H,31,33H2,1-2H3
InChIKeySVUTWNJBDQPZMX-UHFFFAOYSA-N
XLogP14.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.97
LogP ≤ 514.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
CID 169295710
4-[(9,9-dimethylfluoren-2-yl)-(2-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
CID 169295666
2-benzhydryl-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
CID 169295293
2-[(9,9-diphenylfluoren-2-yl)-phenylmethyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
CID 169296171
4-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
CID 169295746
6-(9,9-dimethylfluoren-2-yl)-1-[9H-fluoren-1-yl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran
CID 169295476
10-(9H-fluoren-1-yl)-4-[naphthalen-1-yl-(4-phenylphenyl)methyl]-11H-benzo[b]fluorene
CID 169296259
6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran
CID 169295228
2-[4-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9,9-dimethylfluorene
CID 165167642
1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene
CID 87557291
2-(9,9-dimethylfluoren-2-yl)-4-[3-(9H-fluoren-1-yl)-5-(4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 118685337
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-3-yl)-1,3,5-triazine
CID 118685410

Frequently Asked Questions

What is the IUPAC name of 3-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene?
The IUPAC name of 3-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene (CID 169295471) is 3-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene.
What is the SMILES notation for 3-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene?
The canonical SMILES for 3-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene is CC1(C)c2ccccc2-c2ccc(C(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3cc5ccccc5c(-c5cccc6c5Cc5ccccc5-6)c3C4)cc21.
What is the InChIKey of 3-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene?
The InChIKey is SVUTWNJBDQPZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42/c1-58(2)54-22-11-10-19-47(54)48-30-29-43(35-55(48)58)56(38-25-23-37(24-26-38)36-13-4-3-5-14-36)42-28-27-41-33-53-52(50(41)34-42)32-40-16-7-9-18-45(40)57(53)49-21-12-20-46-44-17-8-6-15-39(44)31-51(46)49/h3-30,32,34-35,56H,31,33H2,1-2H3.
What are the key properties of 3-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene?
3-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene has a molecular weight of 738.97 g/mol, XLogP of 14.80, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene is sourced from PubChem (CID 169295471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).