9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(10-phenylphenanthren-9-yl)phenyl]ethenyl]fluoren-2-amine

C57H45N — CID 89075006

IUPAC9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(10-phenylphenanthren-9-yl)phenyl]ethenyl]fluoren-2-amine
SMILESCCC1(CC)c2cc(/C=C/c3ccc(-c4c(-c5ccccc5)c5ccccc5c5ccccc45)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C57H45N/c1-3-57(4-2)53-38-41(32-36-49(53)50-37-35-46(39-54(50)57)58(44-20-10-6-11-21-44)45-22-12-7-13-23-45)29-28-40-30-33-43(34-31-40)56-52-27-17-15-25-48(52)47-24-14-16-26-51(47)55(56)42-18-8-5-9-19-42/h5-39H,3-4H2,1-2H3/b29-28+
InChIKeyHOPHHMGVDRZGGB-ZQHSETAFSA-N
MW743.99 g/mol
LogP16.05
Rot. Bonds9

About 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(10-phenylphenanthren-9-yl)phenyl]ethenyl]fluoren-2-amine

9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(10-phenylphenanthren-9-yl)phenyl]ethenyl]fluoren-2-amine (PubChem CID 89075006) has the molecular formula C57H45N and a molecular weight of 743.99 g/mol. Its IUPAC name is 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(10-phenylphenanthren-9-yl)phenyl]ethenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(10-phenylphenanthren-9-yl)phenyl]ethenyl]fluoren-2-amine
PubChem CID89075006
Molecular FormulaC57H45N
Molecular Weight743.99 g/mol
Exact Mass743.36
IUPAC Name9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(10-phenylphenanthren-9-yl)phenyl]ethenyl]fluoren-2-amine
SMILESCCC1(CC)c2cc(/C=C/c3ccc(-c4c(-c5ccccc5)c5ccccc5c5ccccc45)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C57H45N/c1-3-57(4-2)53-38-41(32-36-49(53)50-37-35-46(39-54(50)57)58(44-20-10-6-11-21-44)45-22-12-7-13-23-45)29-28-40-30-33-43(34-31-40)56-52-27-17-15-25-48(52)47-24-14-16-26-51(47)55(56)42-18-8-5-9-19-42/h5-39H,3-4H2,1-2H3/b29-28+
InChIKeyHOPHHMGVDRZGGB-ZQHSETAFSA-N
XLogP16.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.99
LogP ≤ 516.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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
7-[2-[4-(2,3-dimethyl-4-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 91004917
7-[(E)-2-[4-(2,3-dimethyl-4-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 89074843
7-[2-[4-(2,6-dimethyl-3-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 91384887
7-[(E)-2-[4-[10-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 59245877
9,9-diethyl-7-[(E)-2-[4-(4-methyl-2-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89067087
9,9-diethyl-N-phenyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-N-(4-trimethylsilylphenyl)fluoren-2-amine
CID 58444639
7-[(E)-2-[4-[2-(4-tert-butylphenyl)-4-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 89067107
9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(2-phenyl-6-piperidin-1-ylphenyl)phenyl]ethenyl]fluoren-2-amine
CID 89075145
9,9-diethyl-7-[(E)-2-[4-(2-phenoxazin-10-yl-6-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89074909
9,9-diethyl-N,N-diphenyl-7-[2-[3-(4-phenylphenyl)naphthalen-2-yl]ethenyl]fluoren-2-amine
CID 91243704
9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(4-tritylphenyl)naphthalen-1-yl]ethenyl]fluoren-2-amine
CID 89074836

Frequently Asked Questions

What is the IUPAC name of 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(10-phenylphenanthren-9-yl)phenyl]ethenyl]fluoren-2-amine?
The IUPAC name of 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(10-phenylphenanthren-9-yl)phenyl]ethenyl]fluoren-2-amine (CID 89075006) is 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(10-phenylphenanthren-9-yl)phenyl]ethenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(10-phenylphenanthren-9-yl)phenyl]ethenyl]fluoren-2-amine?
The canonical SMILES for 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(10-phenylphenanthren-9-yl)phenyl]ethenyl]fluoren-2-amine is CCC1(CC)c2cc(/C=C/c3ccc(-c4c(-c5ccccc5)c5ccccc5c5ccccc45)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(10-phenylphenanthren-9-yl)phenyl]ethenyl]fluoren-2-amine?
The InChIKey is HOPHHMGVDRZGGB-ZQHSETAFSA-N. The full InChI is InChI=1S/C57H45N/c1-3-57(4-2)53-38-41(32-36-49(53)50-37-35-46(39-54(50)57)58(44-20-10-6-11-21-44)45-22-12-7-13-23-45)29-28-40-30-33-43(34-31-40)56-52-27-17-15-25-48(52)47-24-14-16-26-51(47)55(56)42-18-8-5-9-19-42/h5-39H,3-4H2,1-2H3/b29-28+.
What are the key properties of 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(10-phenylphenanthren-9-yl)phenyl]ethenyl]fluoren-2-amine?
9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(10-phenylphenanthren-9-yl)phenyl]ethenyl]fluoren-2-amine has a molecular weight of 743.99 g/mol, XLogP of 16.05, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(10-phenylphenanthren-9-yl)phenyl]ethenyl]fluoren-2-amine is sourced from PubChem (CID 89075006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).