15-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]tetracyclo[6.6.2.02,7.09,14]hexadecane

C47H48 — CID 59861546

IUPAC15-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]tetracyclo[6.6.2.02,7.09,14]hexadecane
SMILESCC1(C)c2cc(-c3ccc(C4CC5C6CCCCC6C4C4CCCCC54)cc3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C47H48/c1-47(2)44-26-34(21-23-38(44)39-24-22-35(27-45(39)47)33-20-17-29-9-3-4-10-32(29)25-33)30-15-18-31(19-16-30)42-28-43-36-11-5-7-13-40(36)46(42)41-14-8-6-12-37(41)43/h3-4,9-10,15-27,36-37,40-43,46H,5-8,11-14,28H2,1-2H3
InChIKeyWZMROGIFDXPOEO-UHFFFAOYSA-N
MW612.90 g/mol
LogP12.83
Rot. Bonds3

About 15-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]tetracyclo[6.6.2.02,7.09,14]hexadecane

15-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]tetracyclo[6.6.2.02,7.09,14]hexadecane (PubChem CID 59861546) has the molecular formula C47H48 and a molecular weight of 612.90 g/mol. Its IUPAC name is 15-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]tetracyclo[6.6.2.02,7.09,14]hexadecane.

Molecular Properties

Compound Name15-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]tetracyclo[6.6.2.02,7.09,14]hexadecane
PubChem CID59861546
Molecular FormulaC47H48
Molecular Weight612.90 g/mol
Exact Mass612.38
IUPAC Name15-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]tetracyclo[6.6.2.02,7.09,14]hexadecane
SMILESCC1(C)c2cc(-c3ccc(C4CC5C6CCCCC6C4C4CCCCC54)cc3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C47H48/c1-47(2)44-26-34(21-23-38(44)39-24-22-35(27-45(39)47)33-20-17-29-9-3-4-10-32(29)25-33)30-15-18-31(19-16-30)42-28-43-36-11-5-7-13-40(36)46(42)41-14-8-6-12-37(41)43/h3-4,9-10,15-27,36-37,40-43,46H,5-8,11-14,28H2,1-2H3
InChIKeyWZMROGIFDXPOEO-UHFFFAOYSA-N
XLogP12.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.90
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 15-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]tetracyclo[6.6.2.02,7.09,14]hexadecane 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

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
2-(9,9-dimethylfluoren-2-yl)-7-[7-[7-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 123392580
2-(9,9-dimethylfluoren-2-yl)-7-[9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 123709509
N-(4-cyclohexylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118500304
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-bromo-9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluorene
CID 66667960
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
2-(9H-fluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-ylfluorene
CID 59217085
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
9,9-dimethyl-2-naphthalen-2-yl-7-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217060

Frequently Asked Questions

What is the IUPAC name of 15-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]tetracyclo[6.6.2.02,7.09,14]hexadecane?
The IUPAC name of 15-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]tetracyclo[6.6.2.02,7.09,14]hexadecane (CID 59861546) is 15-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]tetracyclo[6.6.2.02,7.09,14]hexadecane.
What is the SMILES notation for 15-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]tetracyclo[6.6.2.02,7.09,14]hexadecane?
The canonical SMILES for 15-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]tetracyclo[6.6.2.02,7.09,14]hexadecane is CC1(C)c2cc(-c3ccc(C4CC5C6CCCCC6C4C4CCCCC54)cc3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21.
What is the InChIKey of 15-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]tetracyclo[6.6.2.02,7.09,14]hexadecane?
The InChIKey is WZMROGIFDXPOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H48/c1-47(2)44-26-34(21-23-38(44)39-24-22-35(27-45(39)47)33-20-17-29-9-3-4-10-32(29)25-33)30-15-18-31(19-16-30)42-28-43-36-11-5-7-13-40(36)46(42)41-14-8-6-12-37(41)43/h3-4,9-10,15-27,36-37,40-43,46H,5-8,11-14,28H2,1-2H3.
What are the key properties of 15-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]tetracyclo[6.6.2.02,7.09,14]hexadecane?
15-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]tetracyclo[6.6.2.02,7.09,14]hexadecane has a molecular weight of 612.90 g/mol, XLogP of 12.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]tetracyclo[6.6.2.02,7.09,14]hexadecane is sourced from PubChem (CID 59861546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).