3-[3-benzyl-5-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluorene

C43H36 — CID 145377641

IUPAC3-[3-benzyl-5-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(Cc4ccccc4)cc(-c4ccc5c(c4)-c4ccccc4C5(C)C)c3)ccc21
InChIInChI=1S/C43H36/c1-42(2)38-16-10-8-14-34(38)36-26-30(18-20-40(36)42)32-23-29(22-28-12-6-5-7-13-28)24-33(25-32)31-19-21-41-37(27-31)35-15-9-11-17-39(35)43(41,3)4/h5-21,23-27H,22H2,1-4H3
InChIKeyQALMNHIZCUZUOI-UHFFFAOYSA-N
MW552.76 g/mol
LogP11.22
Rot. Bonds4

About 3-[3-benzyl-5-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluorene

3-[3-benzyl-5-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluorene (PubChem CID 145377641) has the molecular formula C43H36 and a molecular weight of 552.76 g/mol. Its IUPAC name is 3-[3-benzyl-5-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluorene.

Molecular Properties

Compound Name3-[3-benzyl-5-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluorene
PubChem CID145377641
Molecular FormulaC43H36
Molecular Weight552.76 g/mol
Exact Mass552.28
IUPAC Name3-[3-benzyl-5-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(Cc4ccccc4)cc(-c4ccc5c(c4)-c4ccccc4C5(C)C)c3)ccc21
InChIInChI=1S/C43H36/c1-42(2)38-16-10-8-14-34(38)36-26-30(18-20-40(36)42)32-23-29(22-28-12-6-5-7-13-28)24-33(25-32)31-19-21-41-37(27-31)35-15-9-11-17-39(35)43(41,3)4/h5-21,23-27H,22H2,1-4H3
InChIKeyQALMNHIZCUZUOI-UHFFFAOYSA-N
XLogP11.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.76
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene
CID 157190437
4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 121450695
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine
CID 161235712
[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]methanamine
CID 145110816
2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine
CID 166901883
4-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 167344610
4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 167344491
6-benzyl-9,9-dimethylfluoren-3-amine
CID 129301138
4-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylphenyl]-2,6-diphenylpyridine
CID 174327262

Frequently Asked Questions

What is the IUPAC name of 3-[3-benzyl-5-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluorene?
The IUPAC name of 3-[3-benzyl-5-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluorene (CID 145377641) is 3-[3-benzyl-5-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluorene.
What is the SMILES notation for 3-[3-benzyl-5-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluorene?
The canonical SMILES for 3-[3-benzyl-5-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluorene is CC1(C)c2ccccc2-c2cc(-c3cc(Cc4ccccc4)cc(-c4ccc5c(c4)-c4ccccc4C5(C)C)c3)ccc21.
What is the InChIKey of 3-[3-benzyl-5-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluorene?
The InChIKey is QALMNHIZCUZUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36/c1-42(2)38-16-10-8-14-34(38)36-26-30(18-20-40(36)42)32-23-29(22-28-12-6-5-7-13-28)24-33(25-32)31-19-21-41-37(27-31)35-15-9-11-17-39(35)43(41,3)4/h5-21,23-27H,22H2,1-4H3.
What are the key properties of 3-[3-benzyl-5-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluorene?
3-[3-benzyl-5-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluorene has a molecular weight of 552.76 g/mol, XLogP of 11.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-benzyl-5-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluorene is sourced from PubChem (CID 145377641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).