N-tert-butyl-2-(1-deuteriocyclohexyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine

C37H41N — CID 156627551

IUPACN-tert-butyl-2-(1-deuteriocyclohexyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
SMILES[2H]C1(c2cc3c(cc2N(c2ccccc2-c2ccccc2)C(C)(C)C)-c2ccccc2C3(C)C)CCCCC1
InChIInChI=1S/C37H41N/c1-36(2,3)38(34-23-15-13-20-28(34)26-16-8-6-9-17-26)35-25-31-29-21-12-14-22-32(29)37(4,5)33(31)24-30(35)27-18-10-7-11-19-27/h6,8-9,12-17,20-25,27H,7,10-11,18-19H2,1-5H3/i27D
InChIKeyMEPPWDRWJYFLDL-BPVCDHNKSA-N
MW500.75 g/mol
LogP10.64
Rot. Bonds4

About N-tert-butyl-2-(1-deuteriocyclohexyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine

N-tert-butyl-2-(1-deuteriocyclohexyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine (PubChem CID 156627551) has the molecular formula C37H41N and a molecular weight of 500.75 g/mol. Its IUPAC name is N-tert-butyl-2-(1-deuteriocyclohexyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(1-deuteriocyclohexyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
PubChem CID156627551
Molecular FormulaC37H41N
Molecular Weight500.75 g/mol
Exact Mass500.33
IUPAC NameN-tert-butyl-2-(1-deuteriocyclohexyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
SMILES[2H]C1(c2cc3c(cc2N(c2ccccc2-c2ccccc2)C(C)(C)C)-c2ccccc2C3(C)C)CCCCC1
InChIInChI=1S/C37H41N/c1-36(2,3)38(34-23-15-13-20-28(34)26-16-8-6-9-17-26)35-25-31-29-21-12-14-22-32(29)37(4,5)33(31)24-30(35)27-18-10-7-11-19-27/h6,8-9,12-17,20-25,27H,7,10-11,18-19H2,1-5H3/i27D
InChIKeyMEPPWDRWJYFLDL-BPVCDHNKSA-N
XLogP10.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.75
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-(1-deuteriocyclohexyl)-N-[2-(1-deuteriocyclohexyl)-5-phenylphenyl]-9,9-dimethylfluoren-3-amine
CID 156627708
N-tert-butyl-2-(1-deuterio-4,4-dimethylcyclohexyl)-N-[2-(1-deuterio-4,4-dimethylcyclohexyl)-6-phenylphenyl]-9,9-dimethylfluoren-3-amine
CID 156627585
N-tert-butyl-2-(1-deuterio-4,4-dimethylcyclohexyl)-N-[2-(1-deuterio-4,4-dimethylcyclohexyl)-4-phenylphenyl]-9,9-dimethylfluoren-3-amine
CID 156627705
N-tert-butyl-2-cyclohexyl-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine;N-tert-butyl-2-cyclopentyl-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine;N-tert-butyl-2-cyclopropyl-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine;N,2-ditert-butyl-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158201898
N-tert-butyl-3-(4,4-dimethylcyclohexyl)-N-[2-(4,4-dimethylcyclohexyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 156627749
N-tert-butyl-3-cyclohexyl-N-(2-cyclohexyl-4-phenylphenyl)-9,9-dimethylfluoren-2-amine;3-cyclopentyl-N-(2-cyclopentyl-4-phenylphenyl)-9,9-dimethyl-N-propan-2-ylfluoren-2-amine;3-(4,4-dimethylcyclohexyl)-N-[2-(4,4-dimethylcyclohexyl)-4-phenylphenyl]-9,9-dimethyl-N-propan-2-ylfluoren-2-amine
CID 159578288
N-tert-butyl-4-(2-deuteriopropan-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 156627533
N-tert-butyl-3-(4,4-dimethylcyclohexyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 156627586
N-[4-[2-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 177124721
N,2-ditert-butyl-N-(2-tert-butyl-6-phenylphenyl)-9,9-dimethylfluoren-3-amine
CID 156627635
N-tert-butyl-4-ethyl-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 156627621
N-tert-butyl-5-cyclohexyl-2,9,9-trimethyl-N-(2-methylphenyl)fluoren-3-amine
CID 156627501

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1-deuteriocyclohexyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine?
The IUPAC name of N-tert-butyl-2-(1-deuteriocyclohexyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine (CID 156627551) is N-tert-butyl-2-(1-deuteriocyclohexyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine.
What is the SMILES notation for N-tert-butyl-2-(1-deuteriocyclohexyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine?
The canonical SMILES for N-tert-butyl-2-(1-deuteriocyclohexyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine is [2H]C1(c2cc3c(cc2N(c2ccccc2-c2ccccc2)C(C)(C)C)-c2ccccc2C3(C)C)CCCCC1.
What is the InChIKey of N-tert-butyl-2-(1-deuteriocyclohexyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine?
The InChIKey is MEPPWDRWJYFLDL-BPVCDHNKSA-N. The full InChI is InChI=1S/C37H41N/c1-36(2,3)38(34-23-15-13-20-28(34)26-16-8-6-9-17-26)35-25-31-29-21-12-14-22-32(29)37(4,5)33(31)24-30(35)27-18-10-7-11-19-27/h6,8-9,12-17,20-25,27H,7,10-11,18-19H2,1-5H3/i27D.
What are the key properties of N-tert-butyl-2-(1-deuteriocyclohexyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine?
N-tert-butyl-2-(1-deuteriocyclohexyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine has a molecular weight of 500.75 g/mol, XLogP of 10.64, 4 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-deuteriocyclohexyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine is sourced from PubChem (CID 156627551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).