7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine

C63H45N — CID 89074839

IUPAC7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
SMILESC(=C/c1ccc2c(c1)C1(Cc3ccccc3C1)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2)\c1ccc(-c2ccc(-c3ccccc3)c3c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C63H45N/c1-5-16-46(17-6-1)55-26-15-27-59-54(38-39-56(62(55)59)47-18-7-2-8-19-47)48-33-30-44(31-34-48)28-29-45-32-36-57-58-37-35-53(64(51-22-9-3-10-23-51)52-24-11-4-12-25-52)41-61(58)63(60(57)40-45)42-49-20-13-14-21-50(49)43-63/h1-41H,42-43H2/b29-28+
InChIKeyNXYFLOJNWMMDRG-ZQHSETAFSA-N
MW816.06 g/mol
LogP16.55
Rot. Bonds8

About 7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine

7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine (PubChem CID 89074839) has the molecular formula C63H45N and a molecular weight of 816.06 g/mol. Its IUPAC name is 7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound Name7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
PubChem CID89074839
Molecular FormulaC63H45N
Molecular Weight816.06 g/mol
Exact Mass815.36
IUPAC Name7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
SMILESC(=C/c1ccc2c(c1)C1(Cc3ccccc3C1)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2)\c1ccc(-c2ccc(-c3ccccc3)c3c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C63H45N/c1-5-16-46(17-6-1)55-26-15-27-59-54(38-39-56(62(55)59)47-18-7-2-8-19-47)48-33-30-44(31-34-48)28-29-45-32-36-57-58-37-35-53(64(51-22-9-3-10-23-51)52-24-11-4-12-25-52)41-61(58)63(60(57)40-45)42-49-20-13-14-21-50(49)43-63/h1-41H,42-43H2/b29-28+
InChIKeyNXYFLOJNWMMDRG-ZQHSETAFSA-N
XLogP16.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.06
LogP ≤ 516.55
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-[4-(8-cyclohexa-2,4-dien-1-yl-5-phenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 89074881
9,9-dimethyl-7-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89068043
N-(9,9-dimethylfluoren-2-yl)-7-[(E)-2-[4-[4-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59246228
7-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenyldibenzothiophen-3-amine
CID 89075012
N-cyclohexa-2,4-dien-1-yl-7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N-phenylspiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 89066703
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]fluoren-2-amine
CID 90889703
9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-[(E)-2-[4-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]ethenyl]phenyl]ethenyl]fluoren-2-amine
CID 89067263
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
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-[9,9-dimethyl-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-yl]-N-(4-methylphenyl)-7H-benzo[a]phenalen-4-amine
CID 91214788
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoren-2-amine
CID 89067766
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
CID 162779846

Frequently Asked Questions

What is the IUPAC name of 7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine?
The IUPAC name of 7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine (CID 89074839) is 7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine.
What is the SMILES notation for 7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine?
The canonical SMILES for 7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine is C(=C/c1ccc2c(c1)C1(Cc3ccccc3C1)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2)\c1ccc(-c2ccc(-c3ccccc3)c3c(-c4ccccc4)cccc23)cc1.
What is the InChIKey of 7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine?
The InChIKey is NXYFLOJNWMMDRG-ZQHSETAFSA-N. The full InChI is InChI=1S/C63H45N/c1-5-16-46(17-6-1)55-26-15-27-59-54(38-39-56(62(55)59)47-18-7-2-8-19-47)48-33-30-44(31-34-48)28-29-45-32-36-57-58-37-35-53(64(51-22-9-3-10-23-51)52-24-11-4-12-25-52)41-61(58)63(60(57)40-45)42-49-20-13-14-21-50(49)43-63/h1-41H,42-43H2/b29-28+.
What are the key properties of 7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine?
7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine has a molecular weight of 816.06 g/mol, XLogP of 16.55, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 89074839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).