(11R)-10-[(11R)-11-hydroxy-11-phenylbenzo[b]fluoren-10-yl]-11-phenylbenzo[b]fluoren-11-ol

C46H30O2 — CID 101376631

IUPAC(11R)-10-[(11R)-11-hydroxy-11-phenylbenzo[b]fluoren-10-yl]-11-phenylbenzo[b]fluoren-11-ol
SMILESO[C@]1(c2ccccc2)c2ccccc2-c2cc3ccccc3c(-c3c4c(cc5ccccc35)-c3ccccc3[C@]4(O)c3ccccc3)c21
InChIInChI=1S/C46H30O2/c47-45(31-17-3-1-4-18-31)39-25-13-11-23-35(39)37-27-29-15-7-9-21-33(29)41(43(37)45)42-34-22-10-8-16-30(34)28-38-36-24-12-14-26-40(36)46(48,44(38)42)32-19-5-2-6-20-32/h1-28,47-48H/t45-,46-/m1/s1
InChIKeyQBGVLQIDYCFCQT-AWSIMMLFSA-N
MW614.74 g/mol
LogP10.19
Rot. Bonds3

About (11R)-10-[(11R)-11-hydroxy-11-phenylbenzo[b]fluoren-10-yl]-11-phenylbenzo[b]fluoren-11-ol

(11R)-10-[(11R)-11-hydroxy-11-phenylbenzo[b]fluoren-10-yl]-11-phenylbenzo[b]fluoren-11-ol (PubChem CID 101376631) has the molecular formula C46H30O2 and a molecular weight of 614.74 g/mol. Its IUPAC name is (11R)-10-[(11R)-11-hydroxy-11-phenylbenzo[b]fluoren-10-yl]-11-phenylbenzo[b]fluoren-11-ol.

Molecular Properties

Compound Name(11R)-10-[(11R)-11-hydroxy-11-phenylbenzo[b]fluoren-10-yl]-11-phenylbenzo[b]fluoren-11-ol
PubChem CID101376631
Molecular FormulaC46H30O2
Molecular Weight614.74 g/mol
Exact Mass614.22
IUPAC Name(11R)-10-[(11R)-11-hydroxy-11-phenylbenzo[b]fluoren-10-yl]-11-phenylbenzo[b]fluoren-11-ol
SMILESO[C@]1(c2ccccc2)c2ccccc2-c2cc3ccccc3c(-c3c4c(cc5ccccc35)-c3ccccc3[C@]4(O)c3ccccc3)c21
InChIInChI=1S/C46H30O2/c47-45(31-17-3-1-4-18-31)39-25-13-11-23-35(39)37-27-29-15-7-9-21-33(29)41(43(37)45)42-34-22-10-8-16-30(34)28-38-36-24-12-14-26-40(36)46(48,44(38)42)32-19-5-2-6-20-32/h1-28,47-48H/t45-,46-/m1/s1
InChIKeyQBGVLQIDYCFCQT-AWSIMMLFSA-N
XLogP10.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.74
LogP ≤ 510.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (11R)-10-[(11R)-11-hydroxy-11-phenylbenzo[b]fluoren-10-yl]-11-phenylbenzo[b]fluoren-11-ol with MolForge

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Related Compounds

1,2-Dihydro-3-methylbenz(j)aceanthrylen-1-ol
CID 18759
9,9'(Biphenyl-4,4'-diyl)difluoren-9-ol
CID 11733996
6H-Cyclopenta(def)chrysen-6-ol
CID 119026
1,2-Dihydro-3-methylbenz(j)aceanthrylen-2-ol
CID 18710
9-(4-Methylphenyl)fluoren-9-ol
CID 257932
(9,9'-Bi-9H-fluorene)-9,9'-diol
CID 364755
9,10-Dihydro-9,10-dihydroxybenzo(j)fluoranthene
CID 57783
4,5-Dihydro-4,5-dihydroxybenzo(j)fluoranthene
CID 124276
Methylcholanthrene-9,10-dihydrodiol
CID 125662
Cyclopenta(cd)pyren-3-ol, 3,4-dihydro-
CID 149465
1-Hydroxymethylfluoranthene
CID 154433
5,6-Dihydrofluoranthen-6a(4H)-ol
CID 5743424

Frequently Asked Questions

What is the IUPAC name of (11R)-10-[(11R)-11-hydroxy-11-phenylbenzo[b]fluoren-10-yl]-11-phenylbenzo[b]fluoren-11-ol?
The IUPAC name of (11R)-10-[(11R)-11-hydroxy-11-phenylbenzo[b]fluoren-10-yl]-11-phenylbenzo[b]fluoren-11-ol (CID 101376631) is (11R)-10-[(11R)-11-hydroxy-11-phenylbenzo[b]fluoren-10-yl]-11-phenylbenzo[b]fluoren-11-ol.
What is the SMILES notation for (11R)-10-[(11R)-11-hydroxy-11-phenylbenzo[b]fluoren-10-yl]-11-phenylbenzo[b]fluoren-11-ol?
The canonical SMILES for (11R)-10-[(11R)-11-hydroxy-11-phenylbenzo[b]fluoren-10-yl]-11-phenylbenzo[b]fluoren-11-ol is O[C@]1(c2ccccc2)c2ccccc2-c2cc3ccccc3c(-c3c4c(cc5ccccc35)-c3ccccc3[C@]4(O)c3ccccc3)c21.
What is the InChIKey of (11R)-10-[(11R)-11-hydroxy-11-phenylbenzo[b]fluoren-10-yl]-11-phenylbenzo[b]fluoren-11-ol?
The InChIKey is QBGVLQIDYCFCQT-AWSIMMLFSA-N. The full InChI is InChI=1S/C46H30O2/c47-45(31-17-3-1-4-18-31)39-25-13-11-23-35(39)37-27-29-15-7-9-21-33(29)41(43(37)45)42-34-22-10-8-16-30(34)28-38-36-24-12-14-26-40(36)46(48,44(38)42)32-19-5-2-6-20-32/h1-28,47-48H/t45-,46-/m1/s1.
What are the key properties of (11R)-10-[(11R)-11-hydroxy-11-phenylbenzo[b]fluoren-10-yl]-11-phenylbenzo[b]fluoren-11-ol?
(11R)-10-[(11R)-11-hydroxy-11-phenylbenzo[b]fluoren-10-yl]-11-phenylbenzo[b]fluoren-11-ol has a molecular weight of 614.74 g/mol, XLogP of 10.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-10-[(11R)-11-hydroxy-11-phenylbenzo[b]fluoren-10-yl]-11-phenylbenzo[b]fluoren-11-ol is sourced from PubChem (CID 101376631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).