bis(9,9-dimethylfluorene);ethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-naphthalen-2-yloxynaphthalene

C74H68O3 — CID 159643599

IUPACbis(9,9-dimethylfluorene);ethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-naphthalen-2-yloxynaphthalene
SMILESCC.CC.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.c1ccc2cc(Oc3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C20H14O2.C20H14O.2C15H14.2C2H6/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;1-3-7-17-13-19(11-9-15(17)5-1)21-20-12-10-16-6-2-4-8-18(16)14-20;2*1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;2*1-2/h1-12,21-22H;1-14H;2*3-10H,1-2H3;2*1-2H3
InChIKeyMQRDYGWWVFAJLL-UHFFFAOYSA-N
MW1005.35 g/mol
LogP20.89
Rot. Bonds3

About bis(9,9-dimethylfluorene);ethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-naphthalen-2-yloxynaphthalene

bis(9,9-dimethylfluorene);ethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-naphthalen-2-yloxynaphthalene (PubChem CID 159643599) has the molecular formula C74H68O3 and a molecular weight of 1005.35 g/mol. Its IUPAC name is bis(9,9-dimethylfluorene);ethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-naphthalen-2-yloxynaphthalene.

Molecular Properties

Compound Namebis(9,9-dimethylfluorene);ethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-naphthalen-2-yloxynaphthalene
PubChem CID159643599
Molecular FormulaC74H68O3
Molecular Weight1005.35 g/mol
Exact Mass1004.52
IUPAC Namebis(9,9-dimethylfluorene);ethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-naphthalen-2-yloxynaphthalene
SMILESCC.CC.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.c1ccc2cc(Oc3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C20H14O2.C20H14O.2C15H14.2C2H6/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;1-3-7-17-13-19(11-9-15(17)5-1)21-20-12-10-16-6-2-4-8-18(16)14-20;2*1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;2*1-2/h1-12,21-22H;1-14H;2*3-10H,1-2H3;2*1-2H3
InChIKeyMQRDYGWWVFAJLL-UHFFFAOYSA-N
XLogP20.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.35
LogP ≤ 520.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

11,11-dimethylbenzo[b]fluorene;bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);triiodide
CID 158951358
7,7-dimethylbenzo[c]fluorene;ethane
CID 90712910
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
7,7-dimethylbenzo[c]fluorene;hydroiodide
CID 144938625
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
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-(2-phenylphenyl)anthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-(2-phenylphenyl)anthracene;9-(4-naphthalen-2-yloxyphenyl)-10-(2-phenylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 157493414
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 58151561
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
CID 20822253
9-(9,9-dimethylfluoren-2-yl)-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene
CID 20822332
ethoxyethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-(2-hydroxyphenyl)phenol
CID 67656533
1-(3-hydroxyphenyl)-7-naphthalen-2-yloxynaphthalen-2-ol
CID 143531986
9,9-dimethyl-3-(2-methylnaphthalen-1-yl)fluorene
CID 156896767

Frequently Asked Questions

What is the IUPAC name of bis(9,9-dimethylfluorene);ethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-naphthalen-2-yloxynaphthalene?
The IUPAC name of bis(9,9-dimethylfluorene);ethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-naphthalen-2-yloxynaphthalene (CID 159643599) is bis(9,9-dimethylfluorene);ethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-naphthalen-2-yloxynaphthalene.
What is the SMILES notation for bis(9,9-dimethylfluorene);ethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-naphthalen-2-yloxynaphthalene?
The canonical SMILES for bis(9,9-dimethylfluorene);ethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-naphthalen-2-yloxynaphthalene is CC.CC.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.c1ccc2cc(Oc3ccc4ccccc4c3)ccc2c1.
What is the InChIKey of bis(9,9-dimethylfluorene);ethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-naphthalen-2-yloxynaphthalene?
The InChIKey is MQRDYGWWVFAJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2.C20H14O.2C15H14.2C2H6/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;1-3-7-17-13-19(11-9-15(17)5-1)21-20-12-10-16-6-2-4-8-18(16)14-20;2*1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;2*1-2/h1-12,21-22H;1-14H;2*3-10H,1-2H3;2*1-2H3.
What are the key properties of bis(9,9-dimethylfluorene);ethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-naphthalen-2-yloxynaphthalene?
bis(9,9-dimethylfluorene);ethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-naphthalen-2-yloxynaphthalene has a molecular weight of 1005.35 g/mol, XLogP of 20.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9,9-dimethylfluorene);ethane;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;2-naphthalen-2-yloxynaphthalene is sourced from PubChem (CID 159643599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).