3-(3-methylnaphthalen-1-yl)-9,9'-spirobi[fluorene]

C36H24 — CID 156896750

IUPAC3-(3-methylnaphthalen-1-yl)-9,9'-spirobi[fluorene]
SMILESCc1cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c2ccccc2c1
InChIInChI=1S/C36H24/c1-23-20-24-10-2-3-11-26(24)30(21-23)25-18-19-35-31(22-25)29-14-6-9-17-34(29)36(35)32-15-7-4-12-27(32)28-13-5-8-16-33(28)36/h2-22H,1H3
InChIKeyBUYMRYRNAUUMPO-UHFFFAOYSA-N
MW456.59 g/mol
LogP9.16
Rot. Bonds1

About 3-(3-methylnaphthalen-1-yl)-9,9'-spirobi[fluorene]

3-(3-methylnaphthalen-1-yl)-9,9'-spirobi[fluorene] (PubChem CID 156896750) has the molecular formula C36H24 and a molecular weight of 456.59 g/mol. Its IUPAC name is 3-(3-methylnaphthalen-1-yl)-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name3-(3-methylnaphthalen-1-yl)-9,9'-spirobi[fluorene]
PubChem CID156896750
Molecular FormulaC36H24
Molecular Weight456.59 g/mol
Exact Mass456.19
IUPAC Name3-(3-methylnaphthalen-1-yl)-9,9'-spirobi[fluorene]
SMILESCc1cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c2ccccc2c1
InChIInChI=1S/C36H24/c1-23-20-24-10-2-3-11-26(24)30(21-23)25-18-19-35-31(22-25)29-14-6-9-17-34(29)36(35)32-15-7-4-12-27(32)28-13-5-8-16-33(28)36/h2-22H,1H3
InChIKeyBUYMRYRNAUUMPO-UHFFFAOYSA-N
XLogP9.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-(3-methylnaphthalen-1-yl)-9,9'-spirobi[fluorene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylnaphthalen-1-yl)-9,9-diphenylfluorene
CID 170522173
6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
CID 156896834
9,9-dimethyl-2-naphthalen-1-ylfluorene;9,9-dimethyl-3-naphthalen-1-ylfluorene;3,6-dimethyl-1-phenylnaphthalene;2-naphthalen-1-ylanthracene;1-naphthalen-2-ylnaphthalene;2-naphthalen-1-ylphenanthrene;1-phenylnaphthalene
CID 158039423
2-(4-methylphenyl)-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 171844757
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
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
4,6-bis(4-naphthalen-1-ylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 130261377
8-(9,9-dimethylfluoren-3-yl)-5-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282369
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]
CID 101471754
3'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
CID 153485119
methane;3-phenyl-9,9'-spirobi[fluorene]
CID 145237340

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylnaphthalen-1-yl)-9,9'-spirobi[fluorene]?
The IUPAC name of 3-(3-methylnaphthalen-1-yl)-9,9'-spirobi[fluorene] (CID 156896750) is 3-(3-methylnaphthalen-1-yl)-9,9'-spirobi[fluorene].
What is the SMILES notation for 3-(3-methylnaphthalen-1-yl)-9,9'-spirobi[fluorene]?
The canonical SMILES for 3-(3-methylnaphthalen-1-yl)-9,9'-spirobi[fluorene] is Cc1cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c2ccccc2c1.
What is the InChIKey of 3-(3-methylnaphthalen-1-yl)-9,9'-spirobi[fluorene]?
The InChIKey is BUYMRYRNAUUMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24/c1-23-20-24-10-2-3-11-26(24)30(21-23)25-18-19-35-31(22-25)29-14-6-9-17-34(29)36(35)32-15-7-4-12-27(32)28-13-5-8-16-33(28)36/h2-22H,1H3.
What are the key properties of 3-(3-methylnaphthalen-1-yl)-9,9'-spirobi[fluorene]?
3-(3-methylnaphthalen-1-yl)-9,9'-spirobi[fluorene] has a molecular weight of 456.59 g/mol, XLogP of 9.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylnaphthalen-1-yl)-9,9'-spirobi[fluorene] is sourced from PubChem (CID 156896750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).