N,N-bis(3,4-dimethylphenyl)-7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-amine

C60H53N — CID 89075120

IUPACN,N-bis(3,4-dimethylphenyl)-7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-amine
SMILESCCC1(CC)c2cc(/C=C/c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccc(C)c(C)c3)c3ccc(C)c(C)c3)cc21
InChIInChI=1S/C60H53N/c1-7-59(8-2)56-38-44(29-34-51(56)52-35-33-50(39-57(52)59)61(48-31-26-40(3)42(5)36-48)49-32-27-41(4)43(6)37-49)28-30-45-18-17-25-55-58(45)53-23-15-16-24-54(53)60(55,46-19-11-9-12-20-46)47-21-13-10-14-22-47/h9-39H,7-8H2,1-6H3/b30-28+
InChIKeyVLTDAPSPNYRKQD-SJCQXOIGSA-N
MW788.09 g/mol
LogP16.01
Rot. Bonds9

About N,N-bis(3,4-dimethylphenyl)-7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-amine

N,N-bis(3,4-dimethylphenyl)-7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-amine (PubChem CID 89075120) has the molecular formula C60H53N and a molecular weight of 788.09 g/mol. Its IUPAC name is N,N-bis(3,4-dimethylphenyl)-7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-amine.

Molecular Properties

Compound NameN,N-bis(3,4-dimethylphenyl)-7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-amine
PubChem CID89075120
Molecular FormulaC60H53N
Molecular Weight788.09 g/mol
Exact Mass787.42
IUPAC NameN,N-bis(3,4-dimethylphenyl)-7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-amine
SMILESCCC1(CC)c2cc(/C=C/c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccc(C)c(C)c3)c3ccc(C)c(C)c3)cc21
InChIInChI=1S/C60H53N/c1-7-59(8-2)56-38-44(29-34-51(56)52-35-33-50(39-57(52)59)61(48-31-26-40(3)42(5)36-48)49-32-27-41(4)43(6)37-49)28-30-45-18-17-25-55-58(45)53-23-15-16-24-54(53)60(55,46-19-11-9-12-20-46)47-21-13-10-14-22-47/h9-39H,7-8H2,1-6H3/b30-28+
InChIKeyVLTDAPSPNYRKQD-SJCQXOIGSA-N
XLogP16.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.09
LogP ≤ 516.01
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

7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 89074925
7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methoxyphenyl)fluoren-2-amine
CID 89075111
7-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-N-(3,4-diphenylphenyl)-9,9-diethyl-N-phenylfluoren-2-amine
CID 91193814
N-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]-N-phenyl-1,3-benzoxazol-2-amine
CID 89066758
7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N-phenyl-N-(1,2,6,7-tetrahydroacenaphthylen-5-yl)fluoren-2-amine
CID 89066792
7-[(E)-2-[7-[(E)-2-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 101497253
N,N-bis(3,4-dimethylphenyl)-9,9-diethylfluoren-2-amine
CID 20685715
7-[(E)-2-(9,9-diphenyl-5,6-dihydrofluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(3-methylphenyl)fluoren-2-amine
CID 89067123
10-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]phenothiazine
CID 89074953
6-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-dimethyl-N,N,10-triphenylacridin-3-amine
CID 91214127
7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-5,6-dihydrofluoren-2-amine
CID 89066743
7-[2-[4-(2,6-dimethyl-3-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 91384887

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3,4-dimethylphenyl)-7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-amine?
The IUPAC name of N,N-bis(3,4-dimethylphenyl)-7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-amine (CID 89075120) is N,N-bis(3,4-dimethylphenyl)-7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-amine.
What is the SMILES notation for N,N-bis(3,4-dimethylphenyl)-7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-amine?
The canonical SMILES for N,N-bis(3,4-dimethylphenyl)-7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-amine is CCC1(CC)c2cc(/C=C/c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccc(C)c(C)c3)c3ccc(C)c(C)c3)cc21.
What is the InChIKey of N,N-bis(3,4-dimethylphenyl)-7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-amine?
The InChIKey is VLTDAPSPNYRKQD-SJCQXOIGSA-N. The full InChI is InChI=1S/C60H53N/c1-7-59(8-2)56-38-44(29-34-51(56)52-35-33-50(39-57(52)59)61(48-31-26-40(3)42(5)36-48)49-32-27-41(4)43(6)37-49)28-30-45-18-17-25-55-58(45)53-23-15-16-24-54(53)60(55,46-19-11-9-12-20-46)47-21-13-10-14-22-47/h9-39H,7-8H2,1-6H3/b30-28+.
What are the key properties of N,N-bis(3,4-dimethylphenyl)-7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-amine?
N,N-bis(3,4-dimethylphenyl)-7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-amine has a molecular weight of 788.09 g/mol, XLogP of 16.01, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3,4-dimethylphenyl)-7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-amine is sourced from PubChem (CID 89075120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).