3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline

C68H63N — CID 58389701

IUPAC3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(-c3cc(-c4ccc5c(c4)C(C)(C)c4cc(C(C)(C)C)ccc4-5)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c3)ccc1-2
InChIInChI=1S/C68H63N/c1-65(2,3)52-27-35-59-57-33-25-48(40-61(57)67(7,8)63(59)42-52)50-37-51(49-26-34-58-60-36-28-53(66(4,5)6)43-64(60)68(9,10)62(58)41-49)39-56(38-50)69(54-29-21-46(22-30-54)44-17-13-11-14-18-44)55-31-23-47(24-32-55)45-19-15-12-16-20-45/h11-43H,1-10H3
InChIKeyPKNXOUCDMXWODU-UHFFFAOYSA-N
MW894.26 g/mol
LogP19.03
Rot. Bonds7

About 3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline

3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline (PubChem CID 58389701) has the molecular formula C68H63N and a molecular weight of 894.26 g/mol. Its IUPAC name is 3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
PubChem CID58389701
Molecular FormulaC68H63N
Molecular Weight894.26 g/mol
Exact Mass893.50
IUPAC Name3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(-c3cc(-c4ccc5c(c4)C(C)(C)c4cc(C(C)(C)C)ccc4-5)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c3)ccc1-2
InChIInChI=1S/C68H63N/c1-65(2,3)52-27-35-59-57-33-25-48(40-61(57)67(7,8)63(59)42-52)50-37-51(49-26-34-58-60-36-28-53(66(4,5)6)43-64(60)68(9,10)62(58)41-49)39-56(38-50)69(54-29-21-46(22-30-54)44-17-13-11-14-18-44)55-31-23-47(24-32-55)45-19-15-12-16-20-45/h11-43H,1-10H3
InChIKeyPKNXOUCDMXWODU-UHFFFAOYSA-N
XLogP19.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.26
LogP ≤ 519.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline
CID 58389668
5-[7-[3,5-bis(N-(4-phenylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 59510953
2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58881044
N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[4-(3-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 160536709
N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159398373
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
N-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[3-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 158277620
N-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 58939361
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352
4-tert-butyl-3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]aniline
CID 58389605

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline (CID 58389701) is 3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline is CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(-c3cc(-c4ccc5c(c4)C(C)(C)c4cc(C(C)(C)C)ccc4-5)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c3)ccc1-2.
What is the InChIKey of 3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is PKNXOUCDMXWODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H63N/c1-65(2,3)52-27-35-59-57-33-25-48(40-61(57)67(7,8)63(59)42-52)50-37-51(49-26-34-58-60-36-28-53(66(4,5)6)43-64(60)68(9,10)62(58)41-49)39-56(38-50)69(54-29-21-46(22-30-54)44-17-13-11-14-18-44)55-31-23-47(24-32-55)45-19-15-12-16-20-45/h11-43H,1-10H3.
What are the key properties of 3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline?
3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 894.26 g/mol, XLogP of 19.03, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 58389701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).