4-[9-(4-hydroxynaphthalen-1-yl)-4,5-dinaphthalen-2-ylfluoren-9-yl]naphthalen-1-ol

C53H34O2 — CID 142536408

IUPAC4-[9-(4-hydroxynaphthalen-1-yl)-4,5-dinaphthalen-2-ylfluoren-9-yl]naphthalen-1-ol
SMILESOc1ccc(C2(c3ccc(O)c4ccccc34)c3cccc(-c4ccc5ccccc5c4)c3-c3c(-c4ccc5ccccc5c4)cccc32)c2ccccc12
InChIInChI=1S/C53H34O2/c54-49-29-27-45(41-15-5-7-17-43(41)49)53(46-28-30-50(55)44-18-8-6-16-42(44)46)47-21-9-19-39(37-25-23-33-11-1-3-13-35(33)31-37)51(47)52-40(20-10-22-48(52)53)38-26-24-34-12-2-4-14-36(34)32-38/h1-32,54-55H
InChIKeyHYXAARXMNJAHBZ-UHFFFAOYSA-N
MW702.85 g/mol
LogP13.41
Rot. Bonds4

About 4-[9-(4-hydroxynaphthalen-1-yl)-4,5-dinaphthalen-2-ylfluoren-9-yl]naphthalen-1-ol

4-[9-(4-hydroxynaphthalen-1-yl)-4,5-dinaphthalen-2-ylfluoren-9-yl]naphthalen-1-ol (PubChem CID 142536408) has the molecular formula C53H34O2 and a molecular weight of 702.85 g/mol. Its IUPAC name is 4-[9-(4-hydroxynaphthalen-1-yl)-4,5-dinaphthalen-2-ylfluoren-9-yl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[9-(4-hydroxynaphthalen-1-yl)-4,5-dinaphthalen-2-ylfluoren-9-yl]naphthalen-1-ol
PubChem CID142536408
Molecular FormulaC53H34O2
Molecular Weight702.85 g/mol
Exact Mass702.26
IUPAC Name4-[9-(4-hydroxynaphthalen-1-yl)-4,5-dinaphthalen-2-ylfluoren-9-yl]naphthalen-1-ol
SMILESOc1ccc(C2(c3ccc(O)c4ccccc34)c3cccc(-c4ccc5ccccc5c4)c3-c3c(-c4ccc5ccccc5c4)cccc32)c2ccccc12
InChIInChI=1S/C53H34O2/c54-49-29-27-45(41-15-5-7-17-43(41)49)53(46-28-30-50(55)44-18-8-6-16-42(44)46)47-21-9-19-39(37-25-23-33-11-1-3-13-35(33)31-37)51(47)52-40(20-10-22-48(52)53)38-26-24-34-12-2-4-14-36(34)32-38/h1-32,54-55H
InChIKeyHYXAARXMNJAHBZ-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

4-[9-(4-hydroxy-3-methylphenyl)-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenol
CID 142536435
2-(2-hydroxy-3-naphthalen-2-ylphenyl)-6-naphthalen-2-ylphenol
CID 24741043
7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
CID 140962634
4-naphthalen-2-ylbenzene-1,2,3-triol
CID 54019836
14',21'-dinaphthalen-2-ylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene]
CID 58175305
2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene
CID 10744186
1-[9-(2-hydroxynaphthalen-1-yl)-2,7-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol
CID 176888059
9-(4-chlorophenyl)-4-naphthalen-2-yl-9-phenylfluorene
CID 176760045
2-amino-3-naphthalen-2-ylphenol
CID 175155889
2-[7-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-4-naphthalen-2-yl-6-phenanthren-2-yl-1,3,5-triazine
CID 162196091
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 140710700
9-naphthalen-2-yl-10-(2-naphthalen-2-yl-6-phenylphenyl)anthracene
CID 171447256

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-hydroxynaphthalen-1-yl)-4,5-dinaphthalen-2-ylfluoren-9-yl]naphthalen-1-ol?
The IUPAC name of 4-[9-(4-hydroxynaphthalen-1-yl)-4,5-dinaphthalen-2-ylfluoren-9-yl]naphthalen-1-ol (CID 142536408) is 4-[9-(4-hydroxynaphthalen-1-yl)-4,5-dinaphthalen-2-ylfluoren-9-yl]naphthalen-1-ol.
What is the SMILES notation for 4-[9-(4-hydroxynaphthalen-1-yl)-4,5-dinaphthalen-2-ylfluoren-9-yl]naphthalen-1-ol?
The canonical SMILES for 4-[9-(4-hydroxynaphthalen-1-yl)-4,5-dinaphthalen-2-ylfluoren-9-yl]naphthalen-1-ol is Oc1ccc(C2(c3ccc(O)c4ccccc34)c3cccc(-c4ccc5ccccc5c4)c3-c3c(-c4ccc5ccccc5c4)cccc32)c2ccccc12.
What is the InChIKey of 4-[9-(4-hydroxynaphthalen-1-yl)-4,5-dinaphthalen-2-ylfluoren-9-yl]naphthalen-1-ol?
The InChIKey is HYXAARXMNJAHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34O2/c54-49-29-27-45(41-15-5-7-17-43(41)49)53(46-28-30-50(55)44-18-8-6-16-42(44)46)47-21-9-19-39(37-25-23-33-11-1-3-13-35(33)31-37)51(47)52-40(20-10-22-48(52)53)38-26-24-34-12-2-4-14-36(34)32-38/h1-32,54-55H.
What are the key properties of 4-[9-(4-hydroxynaphthalen-1-yl)-4,5-dinaphthalen-2-ylfluoren-9-yl]naphthalen-1-ol?
4-[9-(4-hydroxynaphthalen-1-yl)-4,5-dinaphthalen-2-ylfluoren-9-yl]naphthalen-1-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 4-[9-(4-hydroxynaphthalen-1-yl)-4,5-dinaphthalen-2-ylfluoren-9-yl]naphthalen-1-ol is sourced from PubChem (CID 142536408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).