N-[9,9-dimethyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-yl]-N-(3-methylphenyl)fluoranthen-3-amine

C58H44N2 — CID 89067725

IUPACN-[9,9-dimethyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-yl]-N-(3-methylphenyl)fluoranthen-3-amine
SMILESCc1cccc(N(c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc2-3)c2ccc3c4c(cccc24)-c2ccccc2-3)c1
InChIInChI=1S/C58H44N2/c1-39-14-12-19-45(36-39)60(56-35-34-52-48-21-11-10-20-47(48)51-22-13-23-53(56)57(51)52)46-31-33-50-49-32-28-41(37-54(49)58(2,3)55(50)38-46)25-24-40-26-29-44(30-27-40)59(42-15-6-4-7-16-42)43-17-8-5-9-18-43/h4-38H,1-3H3/b25-24+
InChIKeyXRXVQLSVSXBVHT-OCOZRVBESA-N
MW769.00 g/mol
LogP16.21
Rot. Bonds8

About N-[9,9-dimethyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-yl]-N-(3-methylphenyl)fluoranthen-3-amine

N-[9,9-dimethyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-yl]-N-(3-methylphenyl)fluoranthen-3-amine (PubChem CID 89067725) has the molecular formula C58H44N2 and a molecular weight of 769.00 g/mol. Its IUPAC name is N-[9,9-dimethyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-yl]-N-(3-methylphenyl)fluoranthen-3-amine.

Molecular Properties

Compound NameN-[9,9-dimethyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-yl]-N-(3-methylphenyl)fluoranthen-3-amine
PubChem CID89067725
Molecular FormulaC58H44N2
Molecular Weight769.00 g/mol
Exact Mass768.35
IUPAC NameN-[9,9-dimethyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-yl]-N-(3-methylphenyl)fluoranthen-3-amine
SMILESCc1cccc(N(c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc2-3)c2ccc3c4c(cccc24)-c2ccccc2-3)c1
InChIInChI=1S/C58H44N2/c1-39-14-12-19-45(36-39)60(56-35-34-52-48-21-11-10-20-47(48)51-22-13-23-53(56)57(51)52)46-31-33-50-49-32-28-41(37-54(49)58(2,3)55(50)38-46)25-24-40-26-29-44(30-27-40)59(42-15-6-4-7-16-42)43-17-8-5-9-18-43/h4-38H,1-3H3/b25-24+
InChIKeyXRXVQLSVSXBVHT-OCOZRVBESA-N
XLogP16.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.00
LogP ≤ 516.21
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-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 90693832
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
N-(3,5-dimethylphenyl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 91484997
N-[9,9-dimethyl-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-yl]-N-(4-methylphenyl)-7H-benzo[a]phenalen-4-amine
CID 91214788
4-[[7-[(E)-2-[7-[(E)-2-[7-(4-cyano-N-fluoranthen-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-fluoranthen-3-ylamino]benzonitrile
CID 89087768
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
9,9-dimethyl-N,N-dinaphthalen-1-yl-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 76639589
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
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-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-phenylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89068180
N-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine
CID 90896917

Frequently Asked Questions

What is the IUPAC name of N-[9,9-dimethyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-yl]-N-(3-methylphenyl)fluoranthen-3-amine?
The IUPAC name of N-[9,9-dimethyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-yl]-N-(3-methylphenyl)fluoranthen-3-amine (CID 89067725) is N-[9,9-dimethyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-yl]-N-(3-methylphenyl)fluoranthen-3-amine.
What is the SMILES notation for N-[9,9-dimethyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-yl]-N-(3-methylphenyl)fluoranthen-3-amine?
The canonical SMILES for N-[9,9-dimethyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-yl]-N-(3-methylphenyl)fluoranthen-3-amine is Cc1cccc(N(c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc2-3)c2ccc3c4c(cccc24)-c2ccccc2-3)c1.
What is the InChIKey of N-[9,9-dimethyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-yl]-N-(3-methylphenyl)fluoranthen-3-amine?
The InChIKey is XRXVQLSVSXBVHT-OCOZRVBESA-N. The full InChI is InChI=1S/C58H44N2/c1-39-14-12-19-45(36-39)60(56-35-34-52-48-21-11-10-20-47(48)51-22-13-23-53(56)57(51)52)46-31-33-50-49-32-28-41(37-54(49)58(2,3)55(50)38-46)25-24-40-26-29-44(30-27-40)59(42-15-6-4-7-16-42)43-17-8-5-9-18-43/h4-38H,1-3H3/b25-24+.
What are the key properties of N-[9,9-dimethyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-yl]-N-(3-methylphenyl)fluoranthen-3-amine?
N-[9,9-dimethyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-yl]-N-(3-methylphenyl)fluoranthen-3-amine has a molecular weight of 769.00 g/mol, XLogP of 16.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9,9-dimethyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-yl]-N-(3-methylphenyl)fluoranthen-3-amine is sourced from PubChem (CID 89067725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).