ethane;4'-[1-(4-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]

C44H34 — CID 142592875

IUPACethane;4'-[1-(4-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]
SMILESCC.Cc1ccc(-c2c(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)ccc3ccccc23)cc1
InChIInChI=1S/C42H28.C2H6/c1-27-21-23-29(24-22-27)40-30-12-3-2-11-28(30)25-26-34(40)33-16-10-20-39-41(33)35-15-6-9-19-38(35)42(39)36-17-7-4-13-31(36)32-14-5-8-18-37(32)42;1-2/h2-26H,1H3;1-2H3
InChIKeyLNAJCGFHHYCFHT-UHFFFAOYSA-N
MW562.76 g/mol
LogP11.85
Rot. Bonds2

About ethane;4'-[1-(4-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]

ethane;4'-[1-(4-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene] (PubChem CID 142592875) has the molecular formula C44H34 and a molecular weight of 562.76 g/mol. Its IUPAC name is ethane;4'-[1-(4-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Nameethane;4'-[1-(4-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]
PubChem CID142592875
Molecular FormulaC44H34
Molecular Weight562.76 g/mol
Exact Mass562.27
IUPAC Nameethane;4'-[1-(4-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]
SMILESCC.Cc1ccc(-c2c(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)ccc3ccccc23)cc1
InChIInChI=1S/C42H28.C2H6/c1-27-21-23-29(24-22-27)40-30-12-3-2-11-28(30)25-26-34(40)33-16-10-20-39-41(33)35-15-6-9-19-38(35)42(39)36-17-7-4-13-31(36)32-14-5-8-18-37(32)42;1-2/h2-26H,1H3;1-2H3
InChIKeyLNAJCGFHHYCFHT-UHFFFAOYSA-N
XLogP11.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.76
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[1-(3-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]
CID 145414946
4'-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 140792308
9,9-bis(4-methylphenyl)-4-naphthalen-1-ylfluorene;9,9-dimethyl-1-naphthalen-1-ylfluorene;ethane;hydroiodide
CID 144939082
4'-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]-9,9'-spirobi[fluorene]
CID 156677063
N-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 139355095
1'-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 153412677
2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]
CID 177126728
ethane;2-[1-(4-methylphenyl)naphthalen-2-yl]triphenylene
CID 142592981
3'-(10-phenylanthracen-9-yl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene]
CID 59702604
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 156524799
9,9-dinaphthalen-1-ylfluorene
CID 140680296
2-[6-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9-phenylfluoren-9-yl]phenyl]-2-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 167177308

Frequently Asked Questions

What is the IUPAC name of ethane;4'-[1-(4-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]?
The IUPAC name of ethane;4'-[1-(4-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene] (CID 142592875) is ethane;4'-[1-(4-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene].
What is the SMILES notation for ethane;4'-[1-(4-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]?
The canonical SMILES for ethane;4'-[1-(4-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene] is CC.Cc1ccc(-c2c(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)ccc3ccccc23)cc1.
What is the InChIKey of ethane;4'-[1-(4-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]?
The InChIKey is LNAJCGFHHYCFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28.C2H6/c1-27-21-23-29(24-22-27)40-30-12-3-2-11-28(30)25-26-34(40)33-16-10-20-39-41(33)35-15-6-9-19-38(35)42(39)36-17-7-4-13-31(36)32-14-5-8-18-37(32)42;1-2/h2-26H,1H3;1-2H3.
What are the key properties of ethane;4'-[1-(4-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]?
ethane;4'-[1-(4-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene] has a molecular weight of 562.76 g/mol, XLogP of 11.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4'-[1-(4-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 142592875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).