(Z)-3-benzylimino-1-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-3-(9,9-diphenylfluoren-4-yl)prop-1-en-1-amine

C70H52N2 — CID 176835128

IUPAC(Z)-3-benzylimino-1-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-3-(9,9-diphenylfluoren-4-yl)prop-1-en-1-amine
SMILESCC1(C)c2cc3ccccc3cc2-c2cccc(-c3ccc(-c4ccc(/C(N)=C/C(=N/Cc5ccccc5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c5ccccc45)cc3)c21
InChIInChI=1S/C70H52N2/c1-69(2)64-43-50-23-13-12-22-49(50)42-61(64)58-32-18-31-54(68(58)69)48-38-36-47(37-39-48)53-40-41-57(56-29-15-14-28-55(53)56)65(71)44-66(72-45-46-20-6-3-7-21-46)60-33-19-35-63-67(60)59-30-16-17-34-62(59)70(63,51-24-8-4-9-25-51)52-26-10-5-11-27-52/h3-44H,45,71H2,1-2H3/b65-44-,72-66-
InChIKeyOXFQYBXKKAGPGI-ICVAJXTBSA-N
MW921.20 g/mol
LogP16.99
Rot. Bonds9

About (Z)-3-benzylimino-1-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-3-(9,9-diphenylfluoren-4-yl)prop-1-en-1-amine

(Z)-3-benzylimino-1-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-3-(9,9-diphenylfluoren-4-yl)prop-1-en-1-amine (PubChem CID 176835128) has the molecular formula C70H52N2 and a molecular weight of 921.20 g/mol. Its IUPAC name is (Z)-3-benzylimino-1-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-3-(9,9-diphenylfluoren-4-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-benzylimino-1-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-3-(9,9-diphenylfluoren-4-yl)prop-1-en-1-amine
PubChem CID176835128
Molecular FormulaC70H52N2
Molecular Weight921.20 g/mol
Exact Mass920.41
IUPAC Name(Z)-3-benzylimino-1-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-3-(9,9-diphenylfluoren-4-yl)prop-1-en-1-amine
SMILESCC1(C)c2cc3ccccc3cc2-c2cccc(-c3ccc(-c4ccc(/C(N)=C/C(=N/Cc5ccccc5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c5ccccc45)cc3)c21
InChIInChI=1S/C70H52N2/c1-69(2)64-43-50-23-13-12-22-49(50)42-61(64)58-32-18-31-54(68(58)69)48-38-36-47(37-39-48)53-40-41-57(56-29-15-14-28-55(53)56)65(71)44-66(72-45-46-20-6-3-7-21-46)60-33-19-35-63-67(60)59-30-16-17-34-62(59)70(63,51-24-8-4-9-25-51)52-26-10-5-11-27-52/h3-44H,45,71H2,1-2H3/b65-44-,72-66-
InChIKeyOXFQYBXKKAGPGI-ICVAJXTBSA-N
XLogP16.99
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.20
LogP ≤ 516.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-3-benzylimino-1-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-3-(9,9-diphenylfluoren-4-yl)prop-1-en-1-amine with MolForge

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Related Compounds

(Z)-3-benzylimino-1-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-3-(3-pyridin-3-ylphenyl)prop-1-en-1-amine
CID 176834786
11,11-dimethyl-1-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene
CID 140724534
2,4-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-yl-1,3,5-triazine;bis(9,9-diphenylfluoren-4-yl)methanone;bis(9,9'-spirobi[fluorene]-4'-yl)methanone
CID 162245318
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167324312
5-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
CID 156896564
2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 168779131
N'-[(Z)-1-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-3-(3-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide
CID 176834989
7-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenylfluoren-2-amine
CID 140919841
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 126548871
4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168777017
N'-[(Z)-1-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-3-phenylprop-1-enyl]naphthalene-1-carboximidamide
CID 176834901
N'-[(Z)-1-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-3-(4-phenylphenyl)prop-1-enyl]-4-phenylbenzenecarboximidamide
CID 176834722

Frequently Asked Questions

What is the IUPAC name of (Z)-3-benzylimino-1-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-3-(9,9-diphenylfluoren-4-yl)prop-1-en-1-amine?
The IUPAC name of (Z)-3-benzylimino-1-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-3-(9,9-diphenylfluoren-4-yl)prop-1-en-1-amine (CID 176835128) is (Z)-3-benzylimino-1-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-3-(9,9-diphenylfluoren-4-yl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-benzylimino-1-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-3-(9,9-diphenylfluoren-4-yl)prop-1-en-1-amine?
The canonical SMILES for (Z)-3-benzylimino-1-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-3-(9,9-diphenylfluoren-4-yl)prop-1-en-1-amine is CC1(C)c2cc3ccccc3cc2-c2cccc(-c3ccc(-c4ccc(/C(N)=C/C(=N/Cc5ccccc5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c5ccccc45)cc3)c21.
What is the InChIKey of (Z)-3-benzylimino-1-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-3-(9,9-diphenylfluoren-4-yl)prop-1-en-1-amine?
The InChIKey is OXFQYBXKKAGPGI-ICVAJXTBSA-N. The full InChI is InChI=1S/C70H52N2/c1-69(2)64-43-50-23-13-12-22-49(50)42-61(64)58-32-18-31-54(68(58)69)48-38-36-47(37-39-48)53-40-41-57(56-29-15-14-28-55(53)56)65(71)44-66(72-45-46-20-6-3-7-21-46)60-33-19-35-63-67(60)59-30-16-17-34-62(59)70(63,51-24-8-4-9-25-51)52-26-10-5-11-27-52/h3-44H,45,71H2,1-2H3/b65-44-,72-66-.
What are the key properties of (Z)-3-benzylimino-1-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-3-(9,9-diphenylfluoren-4-yl)prop-1-en-1-amine?
(Z)-3-benzylimino-1-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-3-(9,9-diphenylfluoren-4-yl)prop-1-en-1-amine has a molecular weight of 921.20 g/mol, XLogP of 16.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-benzylimino-1-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-3-(9,9-diphenylfluoren-4-yl)prop-1-en-1-amine is sourced from PubChem (CID 176835128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).