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

C84H86N2 — CID 59246573

IUPAC7-[(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
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccc(C(C)(C)C)cc7)c7ccc(C(C)(C)C)cc7)ccc5-6)c5ccccc45)ccc2-3)cc1
InChIInChI=1S/C84H86N2/c1-79(2,3)59-29-37-63(38-30-59)85(64-39-31-60(32-40-64)80(4,5)6)67-45-49-73-71-47-23-55(51-75(71)83(13,14)77(73)53-67)21-25-57-27-28-58(70-20-18-17-19-69(57)70)26-22-56-24-48-72-74-50-46-68(54-78(74)84(15,16)76(72)52-56)86(65-41-33-61(34-42-65)81(7,8)9)66-43-35-62(36-44-66)82(10,11)12/h17-54H,1-16H3/b25-21+,26-22+
InChIKeyFWJQVVFQSHZJNW-CDTUYSNOSA-N
MW1123.63 g/mol
LogP23.92
Rot. Bonds10

About 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

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 (PubChem CID 59246573) has the molecular formula C84H86N2 and a molecular weight of 1123.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[(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
PubChem CID59246573
Molecular FormulaC84H86N2
Molecular Weight1123.63 g/mol
Exact Mass1122.68
IUPAC Name7-[(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
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccc(C(C)(C)C)cc7)c7ccc(C(C)(C)C)cc7)ccc5-6)c5ccccc45)ccc2-3)cc1
InChIInChI=1S/C84H86N2/c1-79(2,3)59-29-37-63(38-30-59)85(64-39-31-60(32-40-64)80(4,5)6)67-45-49-73-71-47-23-55(51-75(71)83(13,14)77(73)53-67)21-25-57-27-28-58(70-20-18-17-19-69(57)70)26-22-56-24-48-72-74-50-46-68(54-78(74)84(15,16)76(72)52-56)86(65-41-33-61(34-42-65)81(7,8)9)66-43-35-62(36-44-66)82(10,11)12/h17-54H,1-16H3/b25-21+,26-22+
InChIKeyFWJQVVFQSHZJNW-CDTUYSNOSA-N
XLogP23.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001123.63
LogP ≤ 523.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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-(4-tert-butyl-N-naphthalen-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074720
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
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
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-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]naphthalen-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine
CID 59246065
N-(4-tert-butylphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-tert-butyl-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine
CID 59246471
9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(4-tritylphenyl)naphthalen-1-yl]ethenyl]fluoren-2-amine
CID 89074836
CID 89074849
CID 89074849
9,9-diethyl-N,N-diphenyl-7-[2-[4-(4-tritylphenyl)naphthalen-1-yl]ethenyl]fluoren-2-amine
CID 91405868
7-[(E)-2-[7-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]ethenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 59246429

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc(/C=C/c5ccc6c(c5)C(C)(C)c5cc(N(c7ccc(C(C)(C)C)cc7)c7ccc(C(C)(C)C)cc7)ccc5-6)c5ccccc45)ccc2-3)cc1.
What is the InChIKey of 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?
The InChIKey is FWJQVVFQSHZJNW-CDTUYSNOSA-N. The full InChI is InChI=1S/C84H86N2/c1-79(2,3)59-29-37-63(38-30-59)85(64-39-31-60(32-40-64)80(4,5)6)67-45-49-73-71-47-23-55(51-75(71)83(13,14)77(73)53-67)21-25-57-27-28-58(70-20-18-17-19-69(57)70)26-22-56-24-48-72-74-50-46-68(54-78(74)84(15,16)76(72)52-56)86(65-41-33-61(34-42-65)81(7,8)9)66-43-35-62(36-44-66)82(10,11)12/h17-54H,1-16H3/b25-21+,26-22+.
What are the key properties of 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?
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 has a molecular weight of 1123.63 g/mol, XLogP of 23.92, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59246573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).