2-[1-(3-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]

C42H28 — CID 145414946

IUPAC2-[1-(3-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]
SMILESCc1cccc(-c2c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc3ccccc23)c1
InChIInChI=1S/C42H28/c1-27-11-10-13-30(25-27)41-31-14-3-2-12-28(31)21-23-32(41)29-22-24-36-35-17-6-9-20-39(35)42(40(36)26-29)37-18-7-4-15-33(37)34-16-5-8-19-38(34)42/h2-26H,1H3
InChIKeyVARGIHPNGWTZDW-UHFFFAOYSA-N
MW532.69 g/mol
LogP10.83
Rot. Bonds2

About 2-[1-(3-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]

2-[1-(3-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene] (PubChem CID 145414946) has the molecular formula C42H28 and a molecular weight of 532.69 g/mol. Its IUPAC name is 2-[1-(3-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2-[1-(3-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]
PubChem CID145414946
Molecular FormulaC42H28
Molecular Weight532.69 g/mol
Exact Mass532.22
IUPAC Name2-[1-(3-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]
SMILESCc1cccc(-c2c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc3ccccc23)c1
InChIInChI=1S/C42H28/c1-27-11-10-13-30(25-27)41-31-14-3-2-12-28(31)21-23-32(41)29-22-24-36-35-17-6-9-20-39(35)42(40(36)26-29)37-18-7-4-15-33(37)34-16-5-8-19-38(34)42/h2-26H,1H3
InChIKeyVARGIHPNGWTZDW-UHFFFAOYSA-N
XLogP10.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[1-(3-methylphenyl)naphthalen-2-yl]triphenylene
CID 145415013
ethane;4'-[1-(4-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]
CID 142592875
CID 142294433
CID 142294433
2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]
CID 177126728
2,2',7,7'-tetrakis[4-(3-methylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140757122
2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 154591149
2-[2-methyl-3-(2-methylnaphthalen-1-yl)phenyl]-9,9-diphenylfluorene
CID 144920292
2'-benzo[a]anthracen-8-yl-7'-benzo[a]anthracen-11-yl-9,9'-spirobi[fluorene]
CID 123728298
2-(1-methylnaphthalen-2-yl)-9,9-diphenylfluorene
CID 145303553
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-(5-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)-4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 139376539
2-(3-methylphenyl)-4-phenyl-6-spiro[benzo[c]xanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 134571402

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]?
The IUPAC name of 2-[1-(3-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene] (CID 145414946) is 2-[1-(3-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 2-[1-(3-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 2-[1-(3-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene] is Cc1cccc(-c2c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc3ccccc23)c1.
What is the InChIKey of 2-[1-(3-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]?
The InChIKey is VARGIHPNGWTZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28/c1-27-11-10-13-30(25-27)41-31-14-3-2-12-28(31)21-23-32(41)29-22-24-36-35-17-6-9-20-39(35)42(40(36)26-29)37-18-7-4-15-33(37)34-16-5-8-19-38(34)42/h2-26H,1H3.
What are the key properties of 2-[1-(3-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]?
2-[1-(3-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene] has a molecular weight of 532.69 g/mol, XLogP of 10.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 145414946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).