N-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

C60H54N2 — CID 89067846

IUPACN-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccc(/C=C/c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc2)cc1
InChIInChI=1S/C60H54N2/c1-58(2,3)43-27-33-47(34-28-43)61(44-15-9-8-10-16-44)45-29-23-41(24-30-45)21-22-42-25-31-46(32-26-42)62(48-35-37-52-50-17-11-13-19-54(50)59(4,5)56(52)39-48)49-36-38-53-51-18-12-14-20-55(51)60(6,7)57(53)40-49/h8-40H,1-7H3/b22-21+
InChIKeyYTNYKMPXWLWRRQ-QURGRASLSA-N
MW803.11 g/mol
LogP16.71
Rot. Bonds8

About N-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

N-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 89067846) has the molecular formula C60H54N2 and a molecular weight of 803.11 g/mol. Its IUPAC name is N-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
PubChem CID89067846
Molecular FormulaC60H54N2
Molecular Weight803.11 g/mol
Exact Mass802.43
IUPAC NameN-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccc(/C=C/c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc2)cc1
InChIInChI=1S/C60H54N2/c1-58(2,3)43-27-33-47(34-28-43)61(44-15-9-8-10-16-44)45-29-23-41(24-30-45)21-22-42-25-31-46(32-26-42)62(48-35-37-52-50-17-11-13-19-54(50)59(4,5)56(52)39-48)49-36-38-53-51-18-12-14-20-55(51)60(6,7)57(53)40-49/h8-40H,1-7H3/b22-21+
InChIKeyYTNYKMPXWLWRRQ-QURGRASLSA-N
XLogP16.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.11
LogP ≤ 516.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
7-[(E)-2-[4-(N-(4-tert-butylphenyl)-4-methylanilino)phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89067561
7-[(E)-2-[7-(N-(4-tert-butylphenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89068171
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]fluoren-2-amine
CID 90889703
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
7-[(E)-2-[7-(4-tert-butyl-N-naphthalen-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074720
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine
CID 168810581
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-[(E)-2-[4-[(E)-2-[7-(4-tert-butyl-N-(3-methylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-N-(4-tert-butylphenyl)-9,9-dimethyl-N-(3-methylphenyl)fluoren-2-amine
CID 59245944
N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-3-amine
CID 167340405
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 90693832
7-[(E)-2-[4-[(E)-2-[7-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]ethenyl]-N,N-bis(4-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
CID 59246573

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (CID 89067846) is N-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is CC(C)(C)c1ccc(N(c2ccccc2)c2ccc(/C=C/c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc2)cc1.
What is the InChIKey of N-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The InChIKey is YTNYKMPXWLWRRQ-QURGRASLSA-N. The full InChI is InChI=1S/C60H54N2/c1-58(2,3)43-27-33-47(34-28-43)61(44-15-9-8-10-16-44)45-29-23-41(24-30-45)21-22-42-25-31-46(32-26-42)62(48-35-37-52-50-17-11-13-19-54(50)59(4,5)56(52)39-48)49-36-38-53-51-18-12-14-20-55(51)60(6,7)57(53)40-49/h8-40H,1-7H3/b22-21+.
What are the key properties of N-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
N-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 803.11 g/mol, XLogP of 16.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 89067846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).