11,11-dimethylbenzo[b]fluorene;bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);triiodide

C59H44I3O4- — CID 158951358

IUPAC11,11-dimethylbenzo[b]fluorene;bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);triiodide
SMILESCC1(C)c2ccccc2-c2cc3ccccc3cc21.I[I-]I.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/2C20H14O2.C19H16.I3/c2*21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;1-19(2)17-10-6-5-9-15(17)16-11-13-7-3-4-8-14(13)12-18(16)19;1-3-2/h2*1-12,21-22H;3-12H,1-2H3;/q;;;-1
InChIKeySYSIHPTYGDMPPI-UHFFFAOYSA-N
MW1197.71 g/mol
LogP14.06
Rot. Bonds2

About 11,11-dimethylbenzo[b]fluorene;bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);triiodide

11,11-dimethylbenzo[b]fluorene;bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);triiodide (PubChem CID 158951358) has the molecular formula C59H44I3O4- and a molecular weight of 1197.71 g/mol. Its IUPAC name is 11,11-dimethylbenzo[b]fluorene;bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);triiodide.

Molecular Properties

Compound Name11,11-dimethylbenzo[b]fluorene;bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);triiodide
PubChem CID158951358
Molecular FormulaC59H44I3O4-
Molecular Weight1197.71 g/mol
Exact Mass1197.04
IUPAC Name11,11-dimethylbenzo[b]fluorene;bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);triiodide
SMILESCC1(C)c2ccccc2-c2cc3ccccc3cc21.I[I-]I.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/2C20H14O2.C19H16.I3/c2*21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;1-19(2)17-10-6-5-9-15(17)16-11-13-7-3-4-8-14(13)12-18(16)19;1-3-2/h2*1-12,21-22H;3-12H,1-2H3;/q;;;-1
InChIKeySYSIHPTYGDMPPI-UHFFFAOYSA-N
XLogP14.06
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001197.71
LogP ≤ 514.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

bis(9,9-dimethylfluorene);ethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-naphthalen-2-yloxynaphthalene
CID 159643599
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;ethane
CID 90782904
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
CID 91112944
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 58151561
9-(9,9-dimethylfluoren-2-yl)-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene
CID 20822332
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
CID 20822253
11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;8,8-dimethylindeno[1,2-a]anthracene;13,13-dimethylindeno[2,1-a]anthracene;10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
CID 159108274
9,9-dimethyl-3-(2-methylnaphthalen-1-yl)fluorene
CID 156896767
14-(9,9-dimethylfluoren-2-yl)-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 123741068
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]anthracene
CID 20822351
17,17-dimethyl-7-(6-phenanthren-2-ylnaphthalen-2-yl)hexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2(11),3,5(10),6,8,12,14,16(24),18,20,22-dodecaene
CID 123522129
11,11-dimethyl-2-(10-phenylanthracen-9-yl)benzo[b]fluorene;7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 160671642

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethylbenzo[b]fluorene;bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);triiodide?
The IUPAC name of 11,11-dimethylbenzo[b]fluorene;bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);triiodide (CID 158951358) is 11,11-dimethylbenzo[b]fluorene;bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);triiodide.
What is the SMILES notation for 11,11-dimethylbenzo[b]fluorene;bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);triiodide?
The canonical SMILES for 11,11-dimethylbenzo[b]fluorene;bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);triiodide is CC1(C)c2ccccc2-c2cc3ccccc3cc21.I[I-]I.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.
What is the InChIKey of 11,11-dimethylbenzo[b]fluorene;bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);triiodide?
The InChIKey is SYSIHPTYGDMPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H14O2.C19H16.I3/c2*21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;1-19(2)17-10-6-5-9-15(17)16-11-13-7-3-4-8-14(13)12-18(16)19;1-3-2/h2*1-12,21-22H;3-12H,1-2H3;/q;;;-1.
What are the key properties of 11,11-dimethylbenzo[b]fluorene;bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);triiodide?
11,11-dimethylbenzo[b]fluorene;bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);triiodide has a molecular weight of 1197.71 g/mol, XLogP of 14.06, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethylbenzo[b]fluorene;bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);triiodide is sourced from PubChem (CID 158951358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).