N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-amine

C72H68N2 — CID 59246175

IUPACN,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-amine
SMILESCc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7cc(C)cc(C)c7)c7cc(C)cc(C)c7)ccc5-6)cc4)ccc2-3)c1
InChIInChI=1S/C72H68N2/c1-45-29-46(2)34-59(33-45)73(60-35-47(3)30-48(4)36-60)57-23-27-65-63-25-21-55(41-67(63)71(9,10)69(65)43-57)19-17-53-13-15-54(16-14-53)18-20-56-22-26-64-66-28-24-58(44-70(66)72(11,12)68(64)42-56)74(61-37-49(5)31-50(6)38-61)62-39-51(7)32-52(8)40-62/h13-44H,1-12H3/b19-17+,20-18+
InChIKeyZFLWVFUNPBPGSO-XPWSMXQVSA-N
MW961.35 g/mol
LogP20.05
Rot. Bonds10

About N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-amine

N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 59246175) has the molecular formula C72H68N2 and a molecular weight of 961.35 g/mol. Its IUPAC name is N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-amine
PubChem CID59246175
Molecular FormulaC72H68N2
Molecular Weight961.35 g/mol
Exact Mass960.54
IUPAC NameN,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-amine
SMILESCc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7cc(C)cc(C)c7)c7cc(C)cc(C)c7)ccc5-6)cc4)ccc2-3)c1
InChIInChI=1S/C72H68N2/c1-45-29-46(2)34-59(33-45)73(60-35-47(3)30-48(4)36-60)57-23-27-65-63-25-21-55(41-67(63)71(9,10)69(65)43-57)19-17-53-13-15-54(16-14-53)18-20-56-22-26-64-66-28-24-58(44-70(66)72(11,12)68(64)42-56)74(61-37-49(5)31-50(6)38-61)62-39-51(7)32-52(8)40-62/h13-44H,1-12H3/b19-17+,20-18+
InChIKeyZFLWVFUNPBPGSO-XPWSMXQVSA-N
XLogP20.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.35
LogP ≤ 520.05
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

N-(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine
CID 59246124
N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[6-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-2-yl]ethenyl]-9,9-dimethylfluoren-2-amine
CID 59246519
N-(3,5-dimethylphenyl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 91484997
N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenanthren-2-yl]ethenyl]-9,9-dimethylfluoren-2-amine
CID 59246498
N-(3,5-dimethylphenyl)-9,9-dimethyl-N-naphthalen-2-yl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 89067686
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
N-(3,5-dimethylphenyl)-9,9-dimethyl-N-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoren-2-amine
CID 89067791
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-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 90878487
7-[(E)-2-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine
CID 89074664
7-[(E)-2-[9,9-dimethyl-7-(N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074728
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 90693832

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-amine (CID 59246175) is N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-amine is Cc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7cc(C)cc(C)c7)c7cc(C)cc(C)c7)ccc5-6)cc4)ccc2-3)c1.
What is the InChIKey of N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is ZFLWVFUNPBPGSO-XPWSMXQVSA-N. The full InChI is InChI=1S/C72H68N2/c1-45-29-46(2)34-59(33-45)73(60-35-47(3)30-48(4)36-60)57-23-27-65-63-25-21-55(41-67(63)71(9,10)69(65)43-57)19-17-53-13-15-54(16-14-53)18-20-56-22-26-64-66-28-24-58(44-70(66)72(11,12)68(64)42-56)74(61-37-49(5)31-50(6)38-61)62-39-51(7)32-52(8)40-62/h13-44H,1-12H3/b19-17+,20-18+.
What are the key properties of N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-amine?
N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 961.35 g/mol, XLogP of 20.05, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 59246175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).