2-(4-chloro-2,3-dimethylnaphthalen-1-yl)spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]

C35H33Cl — CID 155393697

IUPAC2-(4-chloro-2,3-dimethylnaphthalen-1-yl)spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]
SMILESCc1c(C)c(-c2ccc3c(c2)C2(c4ccccc4-3)C3CCC4CC(C3)CC2C4)c2ccccc2c1Cl
InChIInChI=1S/C35H33Cl/c1-20-21(2)34(36)30-9-4-3-8-29(30)33(20)24-12-14-28-27-7-5-6-10-31(27)35(32(28)19-24)25-13-11-22-15-23(17-25)18-26(35)16-22/h3-10,12,14,19,22-23,25-26H,11,13,15-18H2,1-2H3
InChIKeyRLQVVYOZXGQBBG-UHFFFAOYSA-N
MW489.10 g/mol
LogP9.89
Rot. Bonds1

About 2-(4-chloro-2,3-dimethylnaphthalen-1-yl)spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]

2-(4-chloro-2,3-dimethylnaphthalen-1-yl)spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane] (PubChem CID 155393697) has the molecular formula C35H33Cl and a molecular weight of 489.10 g/mol. Its IUPAC name is 2-(4-chloro-2,3-dimethylnaphthalen-1-yl)spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane].

Molecular Properties

Compound Name2-(4-chloro-2,3-dimethylnaphthalen-1-yl)spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]
PubChem CID155393697
Molecular FormulaC35H33Cl
Molecular Weight489.10 g/mol
Exact Mass488.23
IUPAC Name2-(4-chloro-2,3-dimethylnaphthalen-1-yl)spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]
SMILESCc1c(C)c(-c2ccc3c(c2)C2(c4ccccc4-3)C3CCC4CC(C3)CC2C4)c2ccccc2c1Cl
InChIInChI=1S/C35H33Cl/c1-20-21(2)34(36)30-9-4-3-8-29(30)33(20)24-12-14-28-27-7-5-6-10-31(27)35(32(28)19-24)25-13-11-22-15-23(17-25)18-26(35)16-22/h3-10,12,14,19,22-23,25-26H,11,13,15-18H2,1-2H3
InChIKeyRLQVVYOZXGQBBG-UHFFFAOYSA-N
XLogP9.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.10
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-diphenyl-6-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)-1,3,5-triazine
CID 164819330
methane;2'-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[adamantane-2,9'-fluorene];2'-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]spiro[adamantane-2,9'-fluorene]
CID 164976528
trimethyl-[4-[3-[10-(6-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]silane
CID 164819102
2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[b]fluorene]
CID 168808985
12-(2-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170030894
2'-[10-(2,4-diphenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)carbazole
CID 165027791
3'-[10-(3-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];3'-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]spiro[adamantane-2,9'-fluorene]
CID 165001984
3-spiro[adamantane-2,9'-fluorene]-2'-yl-9H-carbazole
CID 156576981
2-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene;3-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene
CID 164970031
4-spiro[adamantane-2,9'-fluorene]-2'-yl-1H-indole
CID 164940769
2'-chlorospiro[adamantane-2,9'-fluorene];4-[10-[3-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]anthracen-9-yl]pyridine;4-[10-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]anthracen-9-yl]pyridine
CID 165008122
4,4,5,5-tetramethyl-2-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-1,3,2-dioxaborolane
CID 164819128

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,3-dimethylnaphthalen-1-yl)spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]?
The IUPAC name of 2-(4-chloro-2,3-dimethylnaphthalen-1-yl)spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane] (CID 155393697) is 2-(4-chloro-2,3-dimethylnaphthalen-1-yl)spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane].
What is the SMILES notation for 2-(4-chloro-2,3-dimethylnaphthalen-1-yl)spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]?
The canonical SMILES for 2-(4-chloro-2,3-dimethylnaphthalen-1-yl)spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane] is Cc1c(C)c(-c2ccc3c(c2)C2(c4ccccc4-3)C3CCC4CC(C3)CC2C4)c2ccccc2c1Cl.
What is the InChIKey of 2-(4-chloro-2,3-dimethylnaphthalen-1-yl)spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]?
The InChIKey is RLQVVYOZXGQBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33Cl/c1-20-21(2)34(36)30-9-4-3-8-29(30)33(20)24-12-14-28-27-7-5-6-10-31(27)35(32(28)19-24)25-13-11-22-15-23(17-25)18-26(35)16-22/h3-10,12,14,19,22-23,25-26H,11,13,15-18H2,1-2H3.
What are the key properties of 2-(4-chloro-2,3-dimethylnaphthalen-1-yl)spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]?
2-(4-chloro-2,3-dimethylnaphthalen-1-yl)spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane] has a molecular weight of 489.10 g/mol, XLogP of 9.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,3-dimethylnaphthalen-1-yl)spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane] is sourced from PubChem (CID 155393697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).