6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol

C53H34O2 — CID 142536403

IUPAC6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol
SMILESOc1ccc2cc(C3(c4ccc5cc(O)ccc5c4)c4ccc(-c5cccc6ccccc56)cc4-c4cc(-c5cccc6ccccc56)ccc43)ccc2c1
InChIInChI=1S/C53H34O2/c54-43-23-17-35-27-41(21-15-37(35)29-43)53(42-22-16-38-30-44(55)24-18-36(38)28-42)51-25-19-39(47-13-5-9-33-7-1-3-11-45(33)47)31-49(51)50-32-40(20-26-52(50)53)48-14-6-10-34-8-2-4-12-46(34)48/h1-32,54-55H
InChIKeyQQRMWIUQBMXPDL-UHFFFAOYSA-N
MW702.85 g/mol
LogP13.41
Rot. Bonds4

About 6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol

6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol (PubChem CID 142536403) has the molecular formula C53H34O2 and a molecular weight of 702.85 g/mol. Its IUPAC name is 6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol
PubChem CID142536403
Molecular FormulaC53H34O2
Molecular Weight702.85 g/mol
Exact Mass702.26
IUPAC Name6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol
SMILESOc1ccc2cc(C3(c4ccc5cc(O)ccc5c4)c4ccc(-c5cccc6ccccc56)cc4-c4cc(-c5cccc6ccccc56)ccc43)ccc2c1
InChIInChI=1S/C53H34O2/c54-43-23-17-35-27-41(21-15-37(35)29-43)53(42-22-16-38-30-44(55)24-18-36(38)28-42)51-25-19-39(47-13-5-9-33-7-1-3-11-45(33)47)31-49(51)50-32-40(20-26-52(50)53)48-14-6-10-34-8-2-4-12-46(34)48/h1-32,54-55H
InChIKeyQQRMWIUQBMXPDL-UHFFFAOYSA-N
XLogP13.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.85
LogP ≤ 513.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-2-ylfluoren-9-yl]naphthalen-2-ol
CID 153407946
4-[9-(4-hydroxy-3-phenylphenyl)-3,6-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol
CID 142536353
anthracen-1-ol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
CID 158196216
anthracene-1,8-diol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
CID 159179801
6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol
CID 154629847
6-[18,27-bis(6-hydroxynaphthalen-2-yl)-9,18,27-trinaphthalen-2-yl-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl]naphthalen-2-ol
CID 89491411
6-[9,18,18,27,27-pentakis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaenyl]naphthalen-2-ol
CID 89491369
6-[9,18,27-tri(anthracen-2-yl)-18,27-bis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl]naphthalen-2-ol
CID 89491461
6-[9-(6-hydroxynaphthalen-2-yl)-1,8-di(phenanthren-9-yl)fluoren-9-yl]naphthalen-2-ol
CID 165116782
ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;9-(4-phenylphenyl)carbazole;propane
CID 158701368
9-naphthalen-2-yl-10-[4-[9-(4-naphthalen-1-ylphenyl)fluoren-9-yl]phenyl]anthracene
CID 123292733
6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol
CID 146804332

Frequently Asked Questions

What is the IUPAC name of 6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol?
The IUPAC name of 6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol (CID 142536403) is 6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol.
What is the SMILES notation for 6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol?
The canonical SMILES for 6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol is Oc1ccc2cc(C3(c4ccc5cc(O)ccc5c4)c4ccc(-c5cccc6ccccc56)cc4-c4cc(-c5cccc6ccccc56)ccc43)ccc2c1.
What is the InChIKey of 6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol?
The InChIKey is QQRMWIUQBMXPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34O2/c54-43-23-17-35-27-41(21-15-37(35)29-43)53(42-22-16-38-30-44(55)24-18-36(38)28-42)51-25-19-39(47-13-5-9-33-7-1-3-11-45(33)47)31-49(51)50-32-40(20-26-52(50)53)48-14-6-10-34-8-2-4-12-46(34)48/h1-32,54-55H.
What are the key properties of 6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol?
6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol has a molecular weight of 702.85 g/mol, XLogP of 13.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol is sourced from PubChem (CID 142536403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).