1-[9-(2-hydroxynaphthalen-1-yl)-2,7-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol

C53H34O2 — CID 176888059

IUPAC1-[9-(2-hydroxynaphthalen-1-yl)-2,7-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C1(c2c(O)ccc3ccccc23)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C53H34O2/c54-49-29-25-35-13-3-7-19-43(35)51(49)53(52-44-20-8-4-14-36(44)26-30-50(52)55)47-31-37(41-21-9-15-33-11-1-5-17-39(33)41)23-27-45(47)46-28-24-38(32-48(46)53)42-22-10-16-34-12-2-6-18-40(34)42/h1-32,54-55H
InChIKeyHMQXSXRDJPCZMR-UHFFFAOYSA-N
MW702.85 g/mol
LogP13.41
Rot. Bonds4

About 1-[9-(2-hydroxynaphthalen-1-yl)-2,7-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol

1-[9-(2-hydroxynaphthalen-1-yl)-2,7-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol (PubChem CID 176888059) has the molecular formula C53H34O2 and a molecular weight of 702.85 g/mol. Its IUPAC name is 1-[9-(2-hydroxynaphthalen-1-yl)-2,7-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[9-(2-hydroxynaphthalen-1-yl)-2,7-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol
PubChem CID176888059
Molecular FormulaC53H34O2
Molecular Weight702.85 g/mol
Exact Mass702.26
IUPAC Name1-[9-(2-hydroxynaphthalen-1-yl)-2,7-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C1(c2c(O)ccc3ccccc23)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C53H34O2/c54-49-29-25-35-13-3-7-19-43(35)51(49)53(52-44-20-8-4-14-36(44)26-30-50(52)55)47-31-37(41-21-9-15-33-11-1-5-17-39(33)41)23-27-45(47)46-28-24-38(32-48(46)53)42-22-10-16-34-12-2-6-18-40(34)42/h1-32,54-55H
InChIKeyHMQXSXRDJPCZMR-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 1-[9-(2-hydroxynaphthalen-1-yl)-2,7-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol with MolForge

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Related Compounds

2'-benzo[a]anthracen-8-yl-7'-benzo[a]anthracen-11-yl-9,9'-spirobi[fluorene]
CID 123728298
2-naphthalen-1-ylspiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]
CID 140873354
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]
CID 130452820
2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 154591149
2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
6-[5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]chrysene
CID 58569105
2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
CID 154591147
9,9,10,10-tetramethyl-2,6-dinaphthalen-1-ylanthracene
CID 59649099
7'-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]
CID 140962324
2,7-dinaphthalen-1-ylspiro[fluorene-9,3'-hexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene]
CID 140836726
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002

Frequently Asked Questions

What is the IUPAC name of 1-[9-(2-hydroxynaphthalen-1-yl)-2,7-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol?
The IUPAC name of 1-[9-(2-hydroxynaphthalen-1-yl)-2,7-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol (CID 176888059) is 1-[9-(2-hydroxynaphthalen-1-yl)-2,7-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[9-(2-hydroxynaphthalen-1-yl)-2,7-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol?
The canonical SMILES for 1-[9-(2-hydroxynaphthalen-1-yl)-2,7-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol is Oc1ccc2ccccc2c1C1(c2c(O)ccc3ccccc23)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3cccc4ccccc34)cc21.
What is the InChIKey of 1-[9-(2-hydroxynaphthalen-1-yl)-2,7-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol?
The InChIKey is HMQXSXRDJPCZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34O2/c54-49-29-25-35-13-3-7-19-43(35)51(49)53(52-44-20-8-4-14-36(44)26-30-50(52)55)47-31-37(41-21-9-15-33-11-1-5-17-39(33)41)23-27-45(47)46-28-24-38(32-48(46)53)42-22-10-16-34-12-2-6-18-40(34)42/h1-32,54-55H.
What are the key properties of 1-[9-(2-hydroxynaphthalen-1-yl)-2,7-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol?
1-[9-(2-hydroxynaphthalen-1-yl)-2,7-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 1-[9-(2-hydroxynaphthalen-1-yl)-2,7-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol is sourced from PubChem (CID 176888059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).