N-tert-butyl-2-methyl-5-phenyl-N-[4-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline

C39H39N — CID 156627571

IUPACN-tert-butyl-2-methyl-5-phenyl-N-[4-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline
SMILESCc1cc2c(cc1-c1ccc(N(c3cc(-c4ccccc4)ccc3C)C(C)(C)C)cc1)-c1ccccc1C2(C)C
InChIInChI=1S/C39H39N/c1-26-17-18-30(28-13-9-8-10-14-28)24-37(26)40(38(3,4)5)31-21-19-29(20-22-31)33-25-34-32-15-11-12-16-35(32)39(6,7)36(34)23-27(33)2/h8-25H,1-7H3
InChIKeyRXUMTARPDPACHY-UHFFFAOYSA-N
MW521.75 g/mol
LogP10.88
Rot. Bonds4

About N-tert-butyl-2-methyl-5-phenyl-N-[4-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline

N-tert-butyl-2-methyl-5-phenyl-N-[4-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline (PubChem CID 156627571) has the molecular formula C39H39N and a molecular weight of 521.75 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-5-phenyl-N-[4-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-5-phenyl-N-[4-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline
PubChem CID156627571
Molecular FormulaC39H39N
Molecular Weight521.75 g/mol
Exact Mass521.31
IUPAC NameN-tert-butyl-2-methyl-5-phenyl-N-[4-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline
SMILESCc1cc2c(cc1-c1ccc(N(c3cc(-c4ccccc4)ccc3C)C(C)(C)C)cc1)-c1ccccc1C2(C)C
InChIInChI=1S/C39H39N/c1-26-17-18-30(28-13-9-8-10-14-28)24-37(26)40(38(3,4)5)31-21-19-29(20-22-31)33-25-34-32-15-11-12-16-35(32)39(6,7)36(34)23-27(33)2/h8-25H,1-7H3
InChIKeyRXUMTARPDPACHY-UHFFFAOYSA-N
XLogP10.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.75
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 177100109
N-tert-butyl-4-[9,9-dimethyl-2-(trideuteriomethyl)fluoren-3-yl]-N-(2-methylphenyl)naphthalen-1-amine;N-tert-butyl-N-[4-[9,9-dimethyl-2-(trideuteriomethyl)fluoren-3-yl]phenyl]-2-methylaniline;N-tert-butyl-N-[4-[9,9-dimethyl-2-(trideuteriomethyl)fluoren-3-yl]phenyl]-2-methyl-5-phenylaniline;N-tert-butyl-N-(2-methyl-5-phenylphenyl)-4-(2,9,9-trimethylfluoren-3-yl)naphthalen-1-amine;N-tert-butyl-2-methyl-5-phenyl-N-[2-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline;N-tert-butyl-2-methyl-5-phenyl-N-[3-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline;N-tert-butyl-2-methyl-5-phenyl-N-[4-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline;N-tert-butyl-2-methyl-N-[3-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline;N-[2-[9,9-dimethyl-2-(trideuteriomethyl)fluoren-3-yl]phenyl]-2-methyl-N-propan-2-ylaniline
CID 158380935
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-phenyl-5-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 164529236
N-[2,5-dimethyl-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221133
9,9-dimethyl-N-[4-(4-methyl-3-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine
CID 118487154
9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 169039509
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 155220981
N,9,9-trimethyl-N-(2-methyl-4-phenylphenyl)fluoren-2-amine
CID 149403769
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[2-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221094
N-[2-[4-(3,5-ditert-butylphenyl)phenyl]-5-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 164529126
N-tert-butyl-4-[9,9-dimethyl-2-(trideuteriomethyl)fluoren-3-yl]-N-(2-methyl-3-phenylphenyl)naphthalen-1-amine;N-tert-butyl-N-[2-[9,9-dimethyl-2-(trideuteriomethyl)fluoren-3-yl]phenyl]-2-methyl-3-phenylaniline;N-tert-butyl-2-fluoro-9,9-dimethyl-N-(2-methylphenyl)fluoren-3-amine;N-tert-butyl-2-fluoro-9,9-dimethyl-N-(2-methyl-4-phenylphenyl)fluoren-3-amine;N-tert-butyl-2-fluoro-9,9-dimethyl-N-(2-methyl-6-phenylphenyl)fluoren-3-amine;N-tert-butyl-2-fluoro-9,9-dimethyl-N-phenylfluoren-3-amine;N-tert-butyl-2-fluoro-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine;N-tert-butyl-2-fluoro-9,9-dimethyl-N-(3-phenylphenyl)fluoren-3-amine;N-tert-butyl-2-fluoro-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine;N-tert-butyl-2-methyl-3-phenyl-N-[3-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline
CID 161481144
N-(2-tert-butyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 176781141

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-5-phenyl-N-[4-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline?
The IUPAC name of N-tert-butyl-2-methyl-5-phenyl-N-[4-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline (CID 156627571) is N-tert-butyl-2-methyl-5-phenyl-N-[4-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline.
What is the SMILES notation for N-tert-butyl-2-methyl-5-phenyl-N-[4-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline?
The canonical SMILES for N-tert-butyl-2-methyl-5-phenyl-N-[4-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline is Cc1cc2c(cc1-c1ccc(N(c3cc(-c4ccccc4)ccc3C)C(C)(C)C)cc1)-c1ccccc1C2(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-5-phenyl-N-[4-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline?
The InChIKey is RXUMTARPDPACHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H39N/c1-26-17-18-30(28-13-9-8-10-14-28)24-37(26)40(38(3,4)5)31-21-19-29(20-22-31)33-25-34-32-15-11-12-16-35(32)39(6,7)36(34)23-27(33)2/h8-25H,1-7H3.
What are the key properties of N-tert-butyl-2-methyl-5-phenyl-N-[4-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline?
N-tert-butyl-2-methyl-5-phenyl-N-[4-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline has a molecular weight of 521.75 g/mol, XLogP of 10.88, 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-methyl-5-phenyl-N-[4-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline is sourced from PubChem (CID 156627571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).