9,9-dimethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine

C47H43N — CID 170445836

IUPAC9,9-dimethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-c4cccc5c4CCCC5)cc3)c(N(c3ccccc3)c3ccc4c(c3)CCCC4)cc21
InChIInChI=1S/C47H43N/c1-47(2)44-22-11-10-20-41(44)43-30-42(35-25-23-34(24-26-35)40-21-12-16-33-14-8-9-19-39(33)40)46(31-45(43)47)48(37-17-4-3-5-18-37)38-28-27-32-13-6-7-15-36(32)29-38/h3-5,10-12,16-18,20-31H,6-9,13-15,19H2,1-2H3
InChIKeyKVTLPCDOLDMUHI-UHFFFAOYSA-N
MW621.87 g/mol
LogP12.55
Rot. Bonds5

About 9,9-dimethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine (PubChem CID 170445836) has the molecular formula C47H43N and a molecular weight of 621.87 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
PubChem CID170445836
Molecular FormulaC47H43N
Molecular Weight621.87 g/mol
Exact Mass621.34
IUPAC Name9,9-dimethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-c4cccc5c4CCCC5)cc3)c(N(c3ccccc3)c3ccc4c(c3)CCCC4)cc21
InChIInChI=1S/C47H43N/c1-47(2)44-22-11-10-20-41(44)43-30-42(35-25-23-34(24-26-35)40-21-12-16-33-14-8-9-19-39(33)40)46(31-45(43)47)48(37-17-4-3-5-18-37)38-28-27-32-13-6-7-15-36(32)29-38/h3-5,10-12,16-18,20-31H,6-9,13-15,19H2,1-2H3
InChIKeyKVTLPCDOLDMUHI-UHFFFAOYSA-N
XLogP12.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.87
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9-dimethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-phenyl-N,3-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170445163
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538889
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170445211
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538705
9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538841
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170448848
9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-(4-phenylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170446751
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170447564
3,9,9-trimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538858
9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445422
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170445420
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170445933

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine (CID 170445836) is 9,9-dimethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2cc(-c3ccc(-c4cccc5c4CCCC5)cc3)c(N(c3ccccc3)c3ccc4c(c3)CCCC4)cc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?
The InChIKey is KVTLPCDOLDMUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H43N/c1-47(2)44-22-11-10-20-41(44)43-30-42(35-25-23-34(24-26-35)40-21-12-16-33-14-8-9-19-39(33)40)46(31-45(43)47)48(37-17-4-3-5-18-37)38-28-27-32-13-6-7-15-36(32)29-38/h3-5,10-12,16-18,20-31H,6-9,13-15,19H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine has a molecular weight of 621.87 g/mol, XLogP of 12.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170445836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).