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

C53H34O2 — CID 153407946

IUPAC6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-2-ylfluoren-9-yl]naphthalen-2-ol
SMILESOc1ccc2cc(C3(c4ccc5cc(O)ccc5c4)c4ccc(-c5ccc6ccccc6c5)cc4-c4cc(-c5ccc6ccccc6c5)ccc43)ccc2c1
InChIInChI=1S/C53H34O2/c54-47-21-15-39-27-45(19-13-41(39)29-47)53(46-20-14-42-30-48(55)22-16-40(42)28-46)51-23-17-43(37-11-9-33-5-1-3-7-35(33)25-37)31-49(51)50-32-44(18-24-52(50)53)38-12-10-34-6-2-4-8-36(34)26-38/h1-32,54-55H
InChIKeyWXOCXBADINBJDD-UHFFFAOYSA-N
MW702.85 g/mol
LogP13.41
Rot. Bonds4

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

6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-2-ylfluoren-9-yl]naphthalen-2-ol (PubChem CID 153407946) 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-2-ylfluoren-9-yl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-2-ylfluoren-9-yl]naphthalen-2-ol
PubChem CID153407946
Molecular FormulaC53H34O2
Molecular Weight702.85 g/mol
Exact Mass702.26
IUPAC Name6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-2-ylfluoren-9-yl]naphthalen-2-ol
SMILESOc1ccc2cc(C3(c4ccc5cc(O)ccc5c4)c4ccc(-c5ccc6ccccc6c5)cc4-c4cc(-c5ccc6ccccc6c5)ccc43)ccc2c1
InChIInChI=1S/C53H34O2/c54-47-21-15-39-27-45(19-13-41(39)29-47)53(46-20-14-42-30-48(55)22-16-40(42)28-46)51-23-17-43(37-11-9-33-5-1-3-7-35(33)25-37)31-49(51)50-32-44(18-24-52(50)53)38-12-10-34-6-2-4-8-36(34)26-38/h1-32,54-55H
InChIKeyWXOCXBADINBJDD-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

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

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Related Compounds

6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol
CID 142536403
6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol
CID 154629847
2,9,9-trinaphthalen-2-ylfluorene
CID 144772576
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
9,9-dinaphthalen-2-yl-2,7-bis(4-phenylphenyl)fluorene
CID 144772685
6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol
CID 146804332
naphthalen-2-ol
CID 71750931
6-[12-(6-hydroxynaphthalen-2-yl)-6H-indeno[1,2-b]fluoren-12-yl]naphthalen-2-ol
CID 126481591
4-[3,6-bis(4-aminophenyl)-9-(4-hydroxyphenyl)fluoren-9-yl]phenol
CID 141279487
anthracen-1-ol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
CID 158196216

Frequently Asked Questions

What is the IUPAC name of 6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-2-ylfluoren-9-yl]naphthalen-2-ol?
The IUPAC name of 6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-2-ylfluoren-9-yl]naphthalen-2-ol (CID 153407946) is 6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-2-ylfluoren-9-yl]naphthalen-2-ol.
What is the SMILES notation for 6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-2-ylfluoren-9-yl]naphthalen-2-ol?
The canonical SMILES for 6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-2-ylfluoren-9-yl]naphthalen-2-ol is Oc1ccc2cc(C3(c4ccc5cc(O)ccc5c4)c4ccc(-c5ccc6ccccc6c5)cc4-c4cc(-c5ccc6ccccc6c5)ccc43)ccc2c1.
What is the InChIKey of 6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-2-ylfluoren-9-yl]naphthalen-2-ol?
The InChIKey is WXOCXBADINBJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34O2/c54-47-21-15-39-27-45(19-13-41(39)29-47)53(46-20-14-42-30-48(55)22-16-40(42)28-46)51-23-17-43(37-11-9-33-5-1-3-7-35(33)25-37)31-49(51)50-32-44(18-24-52(50)53)38-12-10-34-6-2-4-8-36(34)26-38/h1-32,54-55H.
What are the key properties of 6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-2-ylfluoren-9-yl]naphthalen-2-ol?
6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-2-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-2-ylfluoren-9-yl]naphthalen-2-ol is sourced from PubChem (CID 153407946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).