N-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline

C37H35N — CID 177100109

IUPACN-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)C(C)(C)C)cc3)ccc21
InChIInChI=1S/C37H35N/c1-36(2,3)38(30-20-15-27(16-21-30)26-11-7-6-8-12-26)31-22-17-28(18-23-31)29-19-24-35-33(25-29)32-13-9-10-14-34(32)37(35,4)5/h6-25H,1-5H3
InChIKeyGMRNCMMHLPHNFT-UHFFFAOYSA-N
MW493.69 g/mol
LogP10.26
Rot. Bonds4

About N-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline

N-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline (PubChem CID 177100109) has the molecular formula C37H35N and a molecular weight of 493.69 g/mol. Its IUPAC name is N-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
PubChem CID177100109
Molecular FormulaC37H35N
Molecular Weight493.69 g/mol
Exact Mass493.28
IUPAC NameN-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)C(C)(C)C)cc3)ccc21
InChIInChI=1S/C37H35N/c1-36(2,3)38(30-20-15-27(16-21-30)26-11-7-6-8-12-26)31-22-17-28(18-23-31)29-19-24-35-33(25-29)32-13-9-10-14-34(32)37(35,4)5/h6-25H,1-5H3
InChIKeyGMRNCMMHLPHNFT-UHFFFAOYSA-N
XLogP10.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.69
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-phenyl-4-(4-phenylphenyl)-N-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]aniline
CID 138462004
N-tert-butyl-2-methyl-5-phenyl-N-[4-(2,9,9-trimethylfluoren-3-yl)phenyl]aniline
CID 156627571
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N-(2-tert-butyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 176781141
N-(2-tert-butyl-4-phenylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 176781171
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
3-(3-tert-butylphenyl)-9,9-dimethylfluorene
CID 167353665
9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 121450695

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline?
The IUPAC name of N-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline (CID 177100109) is N-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline?
The canonical SMILES for N-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline is CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)C(C)(C)C)cc3)ccc21.
What is the InChIKey of N-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline?
The InChIKey is GMRNCMMHLPHNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35N/c1-36(2,3)38(30-20-15-27(16-21-30)26-11-7-6-8-12-26)31-22-17-28(18-23-31)29-19-24-35-33(25-29)32-13-9-10-14-34(32)37(35,4)5/h6-25H,1-5H3.
What are the key properties of N-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline?
N-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline has a molecular weight of 493.69 g/mol, XLogP of 10.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline is sourced from PubChem (CID 177100109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).