[9-(hydroxymethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]methanol

C47H34O2 — CID 167328411

IUPAC[9-(hydroxymethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]methanol
SMILESOCC1(CO)c2cc(-c3cccc(-c4ccc5ccccc5c4)c3)ccc2-c2ccc(-c3cccc(-c4ccc5ccccc5c4)c3)cc21
InChIInChI=1S/C47H34O2/c48-29-47(30-49)45-27-41(37-13-5-11-35(25-37)39-17-15-31-7-1-3-9-33(31)23-39)19-21-43(45)44-22-20-42(28-46(44)47)38-14-6-12-36(26-38)40-18-16-32-8-2-4-10-34(32)24-40/h1-28,48-49H,29-30H2
InChIKeyLPJFFPFMIUEXSE-UHFFFAOYSA-N
MW630.79 g/mol
LogP10.91
Rot. Bonds6

About [9-(hydroxymethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]methanol

[9-(hydroxymethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]methanol (PubChem CID 167328411) has the molecular formula C47H34O2 and a molecular weight of 630.79 g/mol. Its IUPAC name is [9-(hydroxymethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]methanol.

Molecular Properties

Compound Name[9-(hydroxymethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]methanol
PubChem CID167328411
Molecular FormulaC47H34O2
Molecular Weight630.79 g/mol
Exact Mass630.26
IUPAC Name[9-(hydroxymethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]methanol
SMILESOCC1(CO)c2cc(-c3cccc(-c4ccc5ccccc5c4)c3)ccc2-c2ccc(-c3cccc(-c4ccc5ccccc5c4)c3)cc21
InChIInChI=1S/C47H34O2/c48-29-47(30-49)45-27-41(37-13-5-11-35(25-37)39-17-15-31-7-1-3-9-33(31)23-39)19-21-43(45)44-22-20-42(28-46(44)47)38-14-6-12-36(26-38)40-18-16-32-8-2-4-10-34(32)24-40/h1-28,48-49H,29-30H2
InChIKeyLPJFFPFMIUEXSE-UHFFFAOYSA-N
XLogP10.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.79
LogP ≤ 510.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[9-(2-hydroxyethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]ethanol
CID 162688543
9,9-dimethyl-2-naphthalen-2-yl-7-[3-(4-phenylphenyl)phenyl]fluorene
CID 59217136
2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene
CID 123207992
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 140710700
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene
CID 140710753
1-[4-[3-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]naphthalene
CID 168844837
2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene
CID 123907813
2-[9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluorene
CID 123193635
9,9-dinaphthalen-2-yl-2,7-bis(4-phenylphenyl)fluorene
CID 144772685
1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene
CID 157179117

Frequently Asked Questions

What is the IUPAC name of [9-(hydroxymethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]methanol?
The IUPAC name of [9-(hydroxymethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]methanol (CID 167328411) is [9-(hydroxymethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]methanol.
What is the SMILES notation for [9-(hydroxymethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]methanol?
The canonical SMILES for [9-(hydroxymethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]methanol is OCC1(CO)c2cc(-c3cccc(-c4ccc5ccccc5c4)c3)ccc2-c2ccc(-c3cccc(-c4ccc5ccccc5c4)c3)cc21.
What is the InChIKey of [9-(hydroxymethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]methanol?
The InChIKey is LPJFFPFMIUEXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34O2/c48-29-47(30-49)45-27-41(37-13-5-11-35(25-37)39-17-15-31-7-1-3-9-33(31)23-39)19-21-43(45)44-22-20-42(28-46(44)47)38-14-6-12-36(26-38)40-18-16-32-8-2-4-10-34(32)24-40/h1-28,48-49H,29-30H2.
What are the key properties of [9-(hydroxymethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]methanol?
[9-(hydroxymethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]methanol has a molecular weight of 630.79 g/mol, XLogP of 10.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(hydroxymethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]methanol is sourced from PubChem (CID 167328411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).