9-[4-[3-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]phenyl]-4b-methyl-8aH-fluoren-9-ol

C45H36O2 — CID 123666280

IUPAC9-[4-[3-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]phenyl]-4b-methyl-8aH-fluoren-9-ol
SMILESCC12C=CC=CC1C(O)(c1ccc(-c3cccc(-c4ccc(C5(O)c6ccccc6C6C=CC=CC65)cc4)c3)cc1)c1ccccc12
InChIInChI=1S/C45H36O2/c1-43-28-9-8-19-42(43)45(47,41-18-7-6-17-40(41)43)35-26-22-31(23-27-35)33-12-10-11-32(29-33)30-20-24-34(25-21-30)44(46)38-15-4-2-13-36(38)37-14-3-5-16-39(37)44/h2-29,36,38,42,46-47H,1H3
InChIKeyRZYMPUWENXNNLH-UHFFFAOYSA-N
MW608.78 g/mol
LogP9.35
Rot. Bonds4

About 9-[4-[3-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]phenyl]-4b-methyl-8aH-fluoren-9-ol

9-[4-[3-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]phenyl]-4b-methyl-8aH-fluoren-9-ol (PubChem CID 123666280) has the molecular formula C45H36O2 and a molecular weight of 608.78 g/mol. Its IUPAC name is 9-[4-[3-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]phenyl]-4b-methyl-8aH-fluoren-9-ol.

Molecular Properties

Compound Name9-[4-[3-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]phenyl]-4b-methyl-8aH-fluoren-9-ol
PubChem CID123666280
Molecular FormulaC45H36O2
Molecular Weight608.78 g/mol
Exact Mass608.27
IUPAC Name9-[4-[3-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]phenyl]-4b-methyl-8aH-fluoren-9-ol
SMILESCC12C=CC=CC1C(O)(c1ccc(-c3cccc(-c4ccc(C5(O)c6ccccc6C6C=CC=CC65)cc4)c3)cc1)c1ccccc12
InChIInChI=1S/C45H36O2/c1-43-28-9-8-19-42(43)45(47,41-18-7-6-17-40(41)43)35-26-22-31(23-27-35)33-12-10-11-32(29-33)30-20-24-34(25-21-30)44(46)38-15-4-2-13-36(38)37-14-3-5-16-39(37)44/h2-29,36,38,42,46-47H,1H3
InChIKeyRZYMPUWENXNNLH-UHFFFAOYSA-N
XLogP9.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.78
LogP ≤ 59.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 9-[4-[3-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]phenyl]-4b-methyl-8aH-fluoren-9-ol with MolForge

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Related Compounds

9-[4-[4-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]fluoren-9-ol
CID 90338421
ethane;4-[9-(4-hydroxyphenyl)-4a,9a-dihydrofluoren-9-yl]phenol;propane
CID 158720104
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine
CID 145141242
9-[4-[2-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)-4-(9-hydroxyfluoren-9-yl)phenoxy]-3-[[2-[2-(hydroxymethyl)phenyl]phenyl]methyl]phenyl]fluoren-9-ol
CID 166873513
2,4-diphenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 155442764
N,6'-diphenylspiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-3'-amine
CID 166958485
(9aS)-10'-hydroxy-2',3',7'-trimethylspiro[4a,9a-dihydrofluorene-9,9'-thioxanthen-10-ium]
CID 142344509
7,9,9-trimethyl-4a,9a-dihydrofluorene
CID 142301822
CID 163533326
CID 163533326
2,4-dipyridin-2-yl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-1,3,5-triazine
CID 123333479
[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-2-methylphenyl]-[5-[1-ethyl-3,3,5-trimethyl-2-[(Z)-prop-1-enyl]-4H-inden-5-yl]-2-methylphenyl]methanone
CID 144659849
2-(9a-methyl-5aH-dibenzothiophen-2-yl)-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 163705405

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]phenyl]-4b-methyl-8aH-fluoren-9-ol?
The IUPAC name of 9-[4-[3-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]phenyl]-4b-methyl-8aH-fluoren-9-ol (CID 123666280) is 9-[4-[3-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]phenyl]-4b-methyl-8aH-fluoren-9-ol.
What is the SMILES notation for 9-[4-[3-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]phenyl]-4b-methyl-8aH-fluoren-9-ol?
The canonical SMILES for 9-[4-[3-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]phenyl]-4b-methyl-8aH-fluoren-9-ol is CC12C=CC=CC1C(O)(c1ccc(-c3cccc(-c4ccc(C5(O)c6ccccc6C6C=CC=CC65)cc4)c3)cc1)c1ccccc12.
What is the InChIKey of 9-[4-[3-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]phenyl]-4b-methyl-8aH-fluoren-9-ol?
The InChIKey is RZYMPUWENXNNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36O2/c1-43-28-9-8-19-42(43)45(47,41-18-7-6-17-40(41)43)35-26-22-31(23-27-35)33-12-10-11-32(29-33)30-20-24-34(25-21-30)44(46)38-15-4-2-13-36(38)37-14-3-5-16-39(37)44/h2-29,36,38,42,46-47H,1H3.
What are the key properties of 9-[4-[3-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]phenyl]-4b-methyl-8aH-fluoren-9-ol?
9-[4-[3-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]phenyl]-4b-methyl-8aH-fluoren-9-ol has a molecular weight of 608.78 g/mol, XLogP of 9.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]phenyl]-4b-methyl-8aH-fluoren-9-ol is sourced from PubChem (CID 123666280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).