4-(9,9-dimethylfluoren-2-yl)-N-methyl-N,2-diphenylaniline;N-[1-methyl-4-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]-4-phenylaniline

C60H54N2 — CID 143676929

IUPAC4-(9,9-dimethylfluoren-2-yl)-N-methyl-N,2-diphenylaniline;N-[1-methyl-4-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]-4-phenylaniline
SMILESCN(c1ccccc1)c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1-c1ccccc1.Cc1ccc(C2=CCC(C)(Nc3ccc(-c4ccccc4)cc3)C=C2)cc1
InChIInChI=1S/C34H29N.C26H25N/c1-34(2)31-17-11-10-16-28(31)29-20-18-26(23-32(29)34)25-19-21-33(35(3)27-14-8-5-9-15-27)30(22-25)24-12-6-4-7-13-24;1-20-8-10-22(11-9-20)24-16-18-26(2,19-17-24)27-25-14-12-23(13-15-25)21-6-4-3-5-7-21/h4-23H,1-3H3;3-18,27H,19H2,1-2H3
InChIKeyAETJDPUYCKHTOU-UHFFFAOYSA-N
MW803.11 g/mol
LogP15.97
Rot. Bonds8

About 4-(9,9-dimethylfluoren-2-yl)-N-methyl-N,2-diphenylaniline;N-[1-methyl-4-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]-4-phenylaniline

4-(9,9-dimethylfluoren-2-yl)-N-methyl-N,2-diphenylaniline;N-[1-methyl-4-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]-4-phenylaniline (PubChem CID 143676929) has the molecular formula C60H54N2 and a molecular weight of 803.11 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-N-methyl-N,2-diphenylaniline;N-[1-methyl-4-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]-4-phenylaniline.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-2-yl)-N-methyl-N,2-diphenylaniline;N-[1-methyl-4-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]-4-phenylaniline
PubChem CID143676929
Molecular FormulaC60H54N2
Molecular Weight803.11 g/mol
Exact Mass802.43
IUPAC Name4-(9,9-dimethylfluoren-2-yl)-N-methyl-N,2-diphenylaniline;N-[1-methyl-4-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]-4-phenylaniline
SMILESCN(c1ccccc1)c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1-c1ccccc1.Cc1ccc(C2=CCC(C)(Nc3ccc(-c4ccccc4)cc3)C=C2)cc1
InChIInChI=1S/C34H29N.C26H25N/c1-34(2)31-17-11-10-16-28(31)29-20-18-26(23-32(29)34)25-19-21-33(35(3)27-14-8-5-9-15-27)30(22-25)24-12-6-4-7-13-24;1-20-8-10-22(11-9-20)24-16-18-26(2,19-17-24)27-25-14-12-23(13-15-25)21-6-4-3-5-7-21/h4-23H,1-3H3;3-18,27H,19H2,1-2H3
InChIKeyAETJDPUYCKHTOU-UHFFFAOYSA-N
XLogP15.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.11
LogP ≤ 515.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-N-methyl-N,2-diphenylaniline
CID 144810304
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]fluoren-2-amine;N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 158711981
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-(5-cyclohexa-1,5-dien-1-yl-2-phenylphenyl)-N,9,9-trimethylfluoren-2-amine
CID 145303021
N-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168801663
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline;4-(9,9-dimethylfluoren-2-yl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
CID 159257633
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,3,5-trimethylaniline;ethane
CID 143983290
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
1-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-N,2-N-bis(9,9-dimethylfluoren-2-yl)-1-N-(4-phenylphenyl)benzene-1,2-diamine
CID 139322169
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 162180969

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-N-methyl-N,2-diphenylaniline;N-[1-methyl-4-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]-4-phenylaniline?
The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-N-methyl-N,2-diphenylaniline;N-[1-methyl-4-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]-4-phenylaniline (CID 143676929) is 4-(9,9-dimethylfluoren-2-yl)-N-methyl-N,2-diphenylaniline;N-[1-methyl-4-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]-4-phenylaniline.
What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)-N-methyl-N,2-diphenylaniline;N-[1-methyl-4-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]-4-phenylaniline?
The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)-N-methyl-N,2-diphenylaniline;N-[1-methyl-4-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]-4-phenylaniline is CN(c1ccccc1)c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1-c1ccccc1.Cc1ccc(C2=CCC(C)(Nc3ccc(-c4ccccc4)cc3)C=C2)cc1.
What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)-N-methyl-N,2-diphenylaniline;N-[1-methyl-4-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]-4-phenylaniline?
The InChIKey is AETJDPUYCKHTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N.C26H25N/c1-34(2)31-17-11-10-16-28(31)29-20-18-26(23-32(29)34)25-19-21-33(35(3)27-14-8-5-9-15-27)30(22-25)24-12-6-4-7-13-24;1-20-8-10-22(11-9-20)24-16-18-26(2,19-17-24)27-25-14-12-23(13-15-25)21-6-4-3-5-7-21/h4-23H,1-3H3;3-18,27H,19H2,1-2H3.
What are the key properties of 4-(9,9-dimethylfluoren-2-yl)-N-methyl-N,2-diphenylaniline;N-[1-methyl-4-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]-4-phenylaniline?
4-(9,9-dimethylfluoren-2-yl)-N-methyl-N,2-diphenylaniline;N-[1-methyl-4-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]-4-phenylaniline has a molecular weight of 803.11 g/mol, XLogP of 15.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-2-yl)-N-methyl-N,2-diphenylaniline;N-[1-methyl-4-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]-4-phenylaniline is sourced from PubChem (CID 143676929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).