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

C54H45N — CID 170538858

IUPAC3,9,9-trimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
SMILESCc1cc2c(cc1N(c1ccc(-c3cc4ccccc4cc3-c3ccccc3)cc1)c1ccc(-c3cccc4c3CCCC4)cc1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C54H45N/c1-36-32-50-47-21-11-12-23-51(47)54(2,3)52(50)35-53(36)55(43-28-24-39(25-29-43)46-22-13-19-37-16-9-10-20-45(37)46)44-30-26-40(27-31-44)49-34-42-18-8-7-17-41(42)33-48(49)38-14-5-4-6-15-38/h4-8,11-15,17-19,21-35H,9-10,16,20H2,1-3H3
InChIKeyUTIYHYSITMSNQM-UHFFFAOYSA-N
MW707.96 g/mol
LogP14.80
Rot. Bonds6

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

3,9,9-trimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine (PubChem CID 170538858) has the molecular formula C54H45N and a molecular weight of 707.96 g/mol. Its IUPAC name is 3,9,9-trimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name3,9,9-trimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
PubChem CID170538858
Molecular FormulaC54H45N
Molecular Weight707.96 g/mol
Exact Mass707.36
IUPAC Name3,9,9-trimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
SMILESCc1cc2c(cc1N(c1ccc(-c3cc4ccccc4cc3-c3ccccc3)cc1)c1ccc(-c3cccc4c3CCCC4)cc1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C54H45N/c1-36-32-50-47-21-11-12-23-51(47)54(2,3)52(50)35-53(36)55(43-28-24-39(25-29-43)46-22-13-19-37-16-9-10-20-45(37)46)44-30-26-40(27-31-44)49-34-42-18-8-7-17-41(42)33-48(49)38-14-5-4-6-15-38/h4-8,11-15,17-19,21-35H,9-10,16,20H2,1-3H3
InChIKeyUTIYHYSITMSNQM-UHFFFAOYSA-N
XLogP14.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.96
LogP ≤ 514.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
11,11-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[b]fluoren-2-amine
CID 170538826
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
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
9,9-dimethyl-5-phenyl-N-[3-(4-phenylphenyl)naphthalen-2-yl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538744
9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170446119
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine
CID 170538672
9,9-dimethyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538821
11,11-dimethyl-N-(3-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine
CID 170538670
5,9,9-trimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538808
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

Frequently Asked Questions

What is the IUPAC name of 3,9,9-trimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?
The IUPAC name of 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) is 3,9,9-trimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 3,9,9-trimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 3,9,9-trimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine is Cc1cc2c(cc1N(c1ccc(-c3cc4ccccc4cc3-c3ccccc3)cc1)c1ccc(-c3cccc4c3CCCC4)cc1)C(C)(C)c1ccccc1-2.
What is the InChIKey of 3,9,9-trimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?
The InChIKey is UTIYHYSITMSNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H45N/c1-36-32-50-47-21-11-12-23-51(47)54(2,3)52(50)35-53(36)55(43-28-24-39(25-29-43)46-22-13-19-37-16-9-10-20-45(37)46)44-30-26-40(27-31-44)49-34-42-18-8-7-17-41(42)33-48(49)38-14-5-4-6-15-38/h4-8,11-15,17-19,21-35H,9-10,16,20H2,1-3H3.
What are the key properties of 3,9,9-trimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?
3,9,9-trimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine has a molecular weight of 707.96 g/mol, XLogP of 14.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9,9-trimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170538858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).