9-[4-[4-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]fluoren-9-ol

C44H34O2 — CID 90338421

IUPAC9-[4-[4-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]fluoren-9-ol
SMILESOC1(C2=CC=C(c3ccc(-c4ccc(C5(O)c6ccccc6C6C=CC=CC65)cc4)cc3)CC2)c2ccccc2-c2ccccc21
InChIInChI=1S/C44H34O2/c45-43(39-13-5-1-9-35(39)36-10-2-6-14-40(36)43)33-25-21-31(22-26-33)29-17-19-30(20-18-29)32-23-27-34(28-24-32)44(46)41-15-7-3-11-37(41)38-12-4-8-16-42(38)44/h1-23,25-27,35,39,45-46H,24,28H2
InChIKeyBKDXUGJANRXTLM-UHFFFAOYSA-N
MW594.75 g/mol
LogP9.45
Rot. Bonds4

About 9-[4-[4-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]fluoren-9-ol

9-[4-[4-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]fluoren-9-ol (PubChem CID 90338421) has the molecular formula C44H34O2 and a molecular weight of 594.75 g/mol. Its IUPAC name is 9-[4-[4-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]fluoren-9-ol.

Molecular Properties

Compound Name9-[4-[4-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]fluoren-9-ol
PubChem CID90338421
Molecular FormulaC44H34O2
Molecular Weight594.75 g/mol
Exact Mass594.26
IUPAC Name9-[4-[4-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]fluoren-9-ol
SMILESOC1(C2=CC=C(c3ccc(-c4ccc(C5(O)c6ccccc6C6C=CC=CC65)cc4)cc3)CC2)c2ccccc2-c2ccccc21
InChIInChI=1S/C44H34O2/c45-43(39-13-5-1-9-35(39)36-10-2-6-14-40(36)43)33-25-21-31(22-26-33)29-17-19-30(20-18-29)32-23-27-34(28-24-32)44(46)41-15-7-3-11-37(41)38-12-4-8-16-42(38)44/h1-23,25-27,35,39,45-46H,24,28H2
InChIKeyBKDXUGJANRXTLM-UHFFFAOYSA-N
XLogP9.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.75
LogP ≤ 59.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-[3-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]phenyl]-4b-methyl-8aH-fluoren-9-ol
CID 123666280
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
N-[4-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(9-phenyl-4a,9a-dihydrofluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 144995204
ethane;4-[9-(4-hydroxyphenyl)-4a,9a-dihydrofluoren-9-yl]phenol;propane
CID 158720104
4-phenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 70822819
spiro[4a,9a-dihydrofluorene-9,1'-cyclohexane]
CID 145280766
9-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-10-[4-[9-(4-methylphenyl)fluoren-9-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene
CID 123595065
2,4-dipyridin-2-yl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-1,3,5-triazine
CID 123333479
ethane;9-(4-methylphenyl)fluoren-9-ol
CID 91233628
2-[[4-[9-[4-[[(2S)-oxiran-2-yl]methoxy]-3,5-bis(prop-2-enyl)phenyl]-4a,9a-dihydrofluoren-9-yl]-2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane
CID 90252758
2-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylcyclohexa-2,4-dien-1-yl)-2-N',2-N'-bis(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2'-diamine
CID 88673461
14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol
CID 13358152

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]fluoren-9-ol?
The IUPAC name of 9-[4-[4-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]fluoren-9-ol (CID 90338421) is 9-[4-[4-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]fluoren-9-ol.
What is the SMILES notation for 9-[4-[4-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]fluoren-9-ol?
The canonical SMILES for 9-[4-[4-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]fluoren-9-ol is OC1(C2=CC=C(c3ccc(-c4ccc(C5(O)c6ccccc6C6C=CC=CC65)cc4)cc3)CC2)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[4-[4-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]fluoren-9-ol?
The InChIKey is BKDXUGJANRXTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34O2/c45-43(39-13-5-1-9-35(39)36-10-2-6-14-40(36)43)33-25-21-31(22-26-33)29-17-19-30(20-18-29)32-23-27-34(28-24-32)44(46)41-15-7-3-11-37(41)38-12-4-8-16-42(38)44/h1-23,25-27,35,39,45-46H,24,28H2.
What are the key properties of 9-[4-[4-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]fluoren-9-ol?
9-[4-[4-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]fluoren-9-ol has a molecular weight of 594.75 g/mol, XLogP of 9.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]fluoren-9-ol is sourced from PubChem (CID 90338421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).