2-methyl-N-phenyl-N-[4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]phenyl]aniline

C41H37N — CID 123509088

IUPAC2-methyl-N-phenyl-N-[4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]phenyl]aniline
SMILESCc1ccccc1N(c1ccccc1)c1ccc(C=Cc2ccc3c(c2)C(C)(C)C2=C3C(C)(C)c3ccccc32)cc1
InChIInChI=1S/C41H37N/c1-28-13-9-12-18-37(28)42(31-14-7-6-8-15-31)32-24-21-29(22-25-32)19-20-30-23-26-34-36(27-30)41(4,5)38-33-16-10-11-17-35(33)40(2,3)39(34)38/h6-27H,1-5H3
InChIKeyKVWFMXNFTRLDTL-UHFFFAOYSA-N
MW543.75 g/mol
LogP11.13
Rot. Bonds5

About 2-methyl-N-phenyl-N-[4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]phenyl]aniline

2-methyl-N-phenyl-N-[4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]phenyl]aniline (PubChem CID 123509088) has the molecular formula C41H37N and a molecular weight of 543.75 g/mol. Its IUPAC name is 2-methyl-N-phenyl-N-[4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]phenyl]aniline.

Molecular Properties

Compound Name2-methyl-N-phenyl-N-[4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]phenyl]aniline
PubChem CID123509088
Molecular FormulaC41H37N
Molecular Weight543.75 g/mol
Exact Mass543.29
IUPAC Name2-methyl-N-phenyl-N-[4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]phenyl]aniline
SMILESCc1ccccc1N(c1ccccc1)c1ccc(C=Cc2ccc3c(c2)C(C)(C)C2=C3C(C)(C)c3ccccc32)cc1
InChIInChI=1S/C41H37N/c1-28-13-9-12-18-37(28)42(31-14-7-6-8-15-31)32-24-21-29(22-25-32)19-20-30-23-26-34-36(27-30)41(4,5)38-33-16-10-11-17-35(33)40(2,3)39(34)38/h6-27H,1-5H3
InChIKeyKVWFMXNFTRLDTL-UHFFFAOYSA-N
XLogP11.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.75
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 89068124
7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(2-methyl-N-(2-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(2-methylphenyl)fluoren-2-amine
CID 59246550
N-naphthalen-2-yl-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine
CID 123669993
N-(9,9-dimethylfluoren-2-yl)-7-[(E)-2-[4-[4-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59246228
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 90693832
N-(3,5-dimethylphenyl)-7-[(E)-2-[7-(N-(3,5-dimethylphenyl)-2-methylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine
CID 89068057
7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 91310997
7-[2-[9,9-dimethyl-7-(2-methyl-N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 90896826
7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-(2-methylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine
CID 59246059
2-methyl-N-[4-[(E)-2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
CID 89074819
N-phenyl-4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]-N-(1,1,2,3-tetramethylinden-5-yl)naphthalen-1-amine
CID 123782148
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
CID 58883844

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-N-[4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]phenyl]aniline?
The IUPAC name of 2-methyl-N-phenyl-N-[4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]phenyl]aniline (CID 123509088) is 2-methyl-N-phenyl-N-[4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]phenyl]aniline.
What is the SMILES notation for 2-methyl-N-phenyl-N-[4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]phenyl]aniline?
The canonical SMILES for 2-methyl-N-phenyl-N-[4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]phenyl]aniline is Cc1ccccc1N(c1ccccc1)c1ccc(C=Cc2ccc3c(c2)C(C)(C)C2=C3C(C)(C)c3ccccc32)cc1.
What is the InChIKey of 2-methyl-N-phenyl-N-[4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]phenyl]aniline?
The InChIKey is KVWFMXNFTRLDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H37N/c1-28-13-9-12-18-37(28)42(31-14-7-6-8-15-31)32-24-21-29(22-25-32)19-20-30-23-26-34-36(27-30)41(4,5)38-33-16-10-11-17-35(33)40(2,3)39(34)38/h6-27H,1-5H3.
What are the key properties of 2-methyl-N-phenyl-N-[4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]phenyl]aniline?
2-methyl-N-phenyl-N-[4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]phenyl]aniline has a molecular weight of 543.75 g/mol, XLogP of 11.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-N-[4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]phenyl]aniline is sourced from PubChem (CID 123509088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).