N-tert-butyl-4-ethyl-9,9-dimethyl-N-phenylfluoren-3-amine

C27H31N — CID 156627665

IUPACN-tert-butyl-4-ethyl-9,9-dimethyl-N-phenylfluoren-3-amine
SMILESCCc1c(N(c2ccccc2)C(C)(C)C)ccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C27H31N/c1-7-20-24(28(26(2,3)4)19-13-9-8-10-14-19)18-17-23-25(20)21-15-11-12-16-22(21)27(23,5)6/h8-18H,7H2,1-6H3
InChIKeyGNILMHQEYYHYEZ-UHFFFAOYSA-N
MW369.55 g/mol
LogP7.49
Rot. Bonds3

About N-tert-butyl-4-ethyl-9,9-dimethyl-N-phenylfluoren-3-amine

N-tert-butyl-4-ethyl-9,9-dimethyl-N-phenylfluoren-3-amine (PubChem CID 156627665) has the molecular formula C27H31N and a molecular weight of 369.55 g/mol. Its IUPAC name is N-tert-butyl-4-ethyl-9,9-dimethyl-N-phenylfluoren-3-amine.

Molecular Properties

Compound NameN-tert-butyl-4-ethyl-9,9-dimethyl-N-phenylfluoren-3-amine
PubChem CID156627665
Molecular FormulaC27H31N
Molecular Weight369.55 g/mol
Exact Mass369.25
IUPAC NameN-tert-butyl-4-ethyl-9,9-dimethyl-N-phenylfluoren-3-amine
SMILESCCc1c(N(c2ccccc2)C(C)(C)C)ccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C27H31N/c1-7-20-24(28(26(2,3)4)19-13-9-8-10-14-19)18-17-23-25(20)21-15-11-12-16-22(21)27(23,5)6/h8-18H,7H2,1-6H3
InChIKeyGNILMHQEYYHYEZ-UHFFFAOYSA-N
XLogP7.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-4-ethyl-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 156627621
N-tert-butyl-2-(1-deuterioethyl)-9,9-dimethyl-N-phenylfluoren-3-amine
CID 156627671
N-tert-butyl-1-(1-deuterioethyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 156627701
N-tert-butyl-4-(2-deuteriopropan-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 156627533
N-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 177100109
9,9-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 90294553
N-(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 130290172
7,7-dimethyl-N,N-diphenylbenzo[c]fluoren-5-amine
CID 162712377
N-tert-butyl-2-methyl-5-phenyl-N-[4-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline
CID 156627571
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
9,9-dimethyl-N,N-diphenylfluoren-3-amine
CID 126704960
2-N,4-N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-2-N,4-N-diphenylfluorene-2,4-diamine
CID 170410184

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-ethyl-9,9-dimethyl-N-phenylfluoren-3-amine?
The IUPAC name of N-tert-butyl-4-ethyl-9,9-dimethyl-N-phenylfluoren-3-amine (CID 156627665) is N-tert-butyl-4-ethyl-9,9-dimethyl-N-phenylfluoren-3-amine.
What is the SMILES notation for N-tert-butyl-4-ethyl-9,9-dimethyl-N-phenylfluoren-3-amine?
The canonical SMILES for N-tert-butyl-4-ethyl-9,9-dimethyl-N-phenylfluoren-3-amine is CCc1c(N(c2ccccc2)C(C)(C)C)ccc2c1-c1ccccc1C2(C)C.
What is the InChIKey of N-tert-butyl-4-ethyl-9,9-dimethyl-N-phenylfluoren-3-amine?
The InChIKey is GNILMHQEYYHYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N/c1-7-20-24(28(26(2,3)4)19-13-9-8-10-14-19)18-17-23-25(20)21-15-11-12-16-22(21)27(23,5)6/h8-18H,7H2,1-6H3.
What are the key properties of N-tert-butyl-4-ethyl-9,9-dimethyl-N-phenylfluoren-3-amine?
N-tert-butyl-4-ethyl-9,9-dimethyl-N-phenylfluoren-3-amine has a molecular weight of 369.55 g/mol, XLogP of 7.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-ethyl-9,9-dimethyl-N-phenylfluoren-3-amine is sourced from PubChem (CID 156627665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).