N-tert-butyl-2-(1-deuterioethyl)-N-[2-(1-deuterioethyl)-3-phenylphenyl]-9,9-dimethylfluoren-1-amine

C35H39N — CID 156627564

IUPACN-tert-butyl-2-(1-deuterioethyl)-N-[2-(1-deuterioethyl)-3-phenylphenyl]-9,9-dimethylfluoren-1-amine
SMILES[2H]C(C)c1ccc2c(c1N(c1cccc(-c3ccccc3)c1C([2H])C)C(C)(C)C)C(C)(C)c1ccccc1-2
InChIInChI=1S/C35H39N/c1-8-24-22-23-29-28-18-13-14-20-30(28)35(6,7)32(29)33(24)36(34(3,4)5)31-21-15-19-27(26(31)9-2)25-16-11-10-12-17-25/h10-23H,8-9H2,1-7H3/i8D,9D
InChIKeyJLQNNKNQRSAQHJ-XETGXLELSA-N
MW475.72 g/mol
LogP9.72
Rot. Bonds5

About N-tert-butyl-2-(1-deuterioethyl)-N-[2-(1-deuterioethyl)-3-phenylphenyl]-9,9-dimethylfluoren-1-amine

N-tert-butyl-2-(1-deuterioethyl)-N-[2-(1-deuterioethyl)-3-phenylphenyl]-9,9-dimethylfluoren-1-amine (PubChem CID 156627564) has the molecular formula C35H39N and a molecular weight of 475.72 g/mol. Its IUPAC name is N-tert-butyl-2-(1-deuterioethyl)-N-[2-(1-deuterioethyl)-3-phenylphenyl]-9,9-dimethylfluoren-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(1-deuterioethyl)-N-[2-(1-deuterioethyl)-3-phenylphenyl]-9,9-dimethylfluoren-1-amine
PubChem CID156627564
Molecular FormulaC35H39N
Molecular Weight475.72 g/mol
Exact Mass475.32
IUPAC NameN-tert-butyl-2-(1-deuterioethyl)-N-[2-(1-deuterioethyl)-3-phenylphenyl]-9,9-dimethylfluoren-1-amine
SMILES[2H]C(C)c1ccc2c(c1N(c1cccc(-c3ccccc3)c1C([2H])C)C(C)(C)C)C(C)(C)c1ccccc1-2
InChIInChI=1S/C35H39N/c1-8-24-22-23-29-28-18-13-14-20-30(28)35(6,7)32(29)33(24)36(34(3,4)5)31-21-15-19-27(26(31)9-2)25-16-11-10-12-17-25/h10-23H,8-9H2,1-7H3/i8D,9D
InChIKeyJLQNNKNQRSAQHJ-XETGXLELSA-N
XLogP9.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.72
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-1-(1-deuterioethyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 156627701
N-tert-butyl-N-[2-(1-deuterioethyl)-6-phenylphenyl]-9,9-dimethyl-2-propan-2-ylfluoren-1-amine;N-tert-butyl-2-(2-deuteriopropan-2-yl)-N-[2-(2-deuteriopropan-2-yl)-6-phenylphenyl]-9,9-dimethylfluoren-1-amine;N-tert-butyl-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-phenylphenyl]-9,9-dimethyl-2-(1,1,1,2-tetradeuteriopropan-2-yl)fluoren-1-amine
CID 159537097
N-tert-butyl-2-(1-deuterioethyl)-9,9-dimethyl-N-phenylfluoren-3-amine
CID 156627671
N-tert-butyl-4-ethyl-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 156627621
9,9-dimethyl-N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)fluoren-1-amine
CID 167255464
9,9-dimethyl-1-phenylfluorene;methane
CID 142541097
N,2-ditert-butyl-N-(2-tert-butyl-6-phenylphenyl)-9,9-dimethylfluoren-3-amine
CID 156627635
N-tert-butyl-4-(2-deuteriopropan-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 156627533
2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 170218393
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[2-[3-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218191
N-tert-butyl-2-(9,9-dimethylfluoren-3-yl)-6-fluoro-N-(2-fluorophenyl)aniline
CID 90264048
N-[2-(9,9-dimethylfluoren-1-yl)-3-phenylphenyl]-N-naphthalen-1-yl-4-phenylnaphthalen-1-amine
CID 170666105

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1-deuterioethyl)-N-[2-(1-deuterioethyl)-3-phenylphenyl]-9,9-dimethylfluoren-1-amine?
The IUPAC name of N-tert-butyl-2-(1-deuterioethyl)-N-[2-(1-deuterioethyl)-3-phenylphenyl]-9,9-dimethylfluoren-1-amine (CID 156627564) is N-tert-butyl-2-(1-deuterioethyl)-N-[2-(1-deuterioethyl)-3-phenylphenyl]-9,9-dimethylfluoren-1-amine.
What is the SMILES notation for N-tert-butyl-2-(1-deuterioethyl)-N-[2-(1-deuterioethyl)-3-phenylphenyl]-9,9-dimethylfluoren-1-amine?
The canonical SMILES for N-tert-butyl-2-(1-deuterioethyl)-N-[2-(1-deuterioethyl)-3-phenylphenyl]-9,9-dimethylfluoren-1-amine is [2H]C(C)c1ccc2c(c1N(c1cccc(-c3ccccc3)c1C([2H])C)C(C)(C)C)C(C)(C)c1ccccc1-2.
What is the InChIKey of N-tert-butyl-2-(1-deuterioethyl)-N-[2-(1-deuterioethyl)-3-phenylphenyl]-9,9-dimethylfluoren-1-amine?
The InChIKey is JLQNNKNQRSAQHJ-XETGXLELSA-N. The full InChI is InChI=1S/C35H39N/c1-8-24-22-23-29-28-18-13-14-20-30(28)35(6,7)32(29)33(24)36(34(3,4)5)31-21-15-19-27(26(31)9-2)25-16-11-10-12-17-25/h10-23H,8-9H2,1-7H3/i8D,9D.
What are the key properties of N-tert-butyl-2-(1-deuterioethyl)-N-[2-(1-deuterioethyl)-3-phenylphenyl]-9,9-dimethylfluoren-1-amine?
N-tert-butyl-2-(1-deuterioethyl)-N-[2-(1-deuterioethyl)-3-phenylphenyl]-9,9-dimethylfluoren-1-amine has a molecular weight of 475.72 g/mol, XLogP of 9.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1-deuterioethyl)-N-[2-(1-deuterioethyl)-3-phenylphenyl]-9,9-dimethylfluoren-1-amine is sourced from PubChem (CID 156627564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).