7-(9,9-dimethylfluoren-2-yl)-N'-(1-naphthalen-1-ylethenyl)-N-(1-naphthalen-1-ylethylidene)naphthalene-2-carboximidamide

C50H38N2 — CID 144939296

IUPAC7-(9,9-dimethylfluoren-2-yl)-N'-(1-naphthalen-1-ylethenyl)-N-(1-naphthalen-1-ylethylidene)naphthalene-2-carboximidamide
SMILESC=C(/N=C(\N=C(/C)c1cccc2ccccc12)c1ccc2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2c1)c1cccc2ccccc12
InChIInChI=1S/C50H38N2/c1-32(41-20-11-15-35-13-5-7-17-43(35)41)51-49(52-33(2)42-21-12-16-36-14-6-8-18-44(36)42)39-26-24-34-23-25-37(29-40(34)30-39)38-27-28-46-45-19-9-10-22-47(45)50(3,4)48(46)31-38/h5-31H,1H2,2-4H3/b51-49-,52-33+
InChIKeyFXVXDAYBYAXTJN-DIKNEJSRSA-N
MW666.87 g/mol
LogP13.05
Rot. Bonds5

About 7-(9,9-dimethylfluoren-2-yl)-N'-(1-naphthalen-1-ylethenyl)-N-(1-naphthalen-1-ylethylidene)naphthalene-2-carboximidamide

7-(9,9-dimethylfluoren-2-yl)-N'-(1-naphthalen-1-ylethenyl)-N-(1-naphthalen-1-ylethylidene)naphthalene-2-carboximidamide (PubChem CID 144939296) has the molecular formula C50H38N2 and a molecular weight of 666.87 g/mol. Its IUPAC name is 7-(9,9-dimethylfluoren-2-yl)-N'-(1-naphthalen-1-ylethenyl)-N-(1-naphthalen-1-ylethylidene)naphthalene-2-carboximidamide.

Molecular Properties

Compound Name7-(9,9-dimethylfluoren-2-yl)-N'-(1-naphthalen-1-ylethenyl)-N-(1-naphthalen-1-ylethylidene)naphthalene-2-carboximidamide
PubChem CID144939296
Molecular FormulaC50H38N2
Molecular Weight666.87 g/mol
Exact Mass666.30
IUPAC Name7-(9,9-dimethylfluoren-2-yl)-N'-(1-naphthalen-1-ylethenyl)-N-(1-naphthalen-1-ylethylidene)naphthalene-2-carboximidamide
SMILESC=C(/N=C(\N=C(/C)c1cccc2ccccc12)c1ccc2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2c1)c1cccc2ccccc12
InChIInChI=1S/C50H38N2/c1-32(41-20-11-15-35-13-5-7-17-43(35)41)51-49(52-33(2)42-21-12-16-36-14-6-8-18-44(36)42)39-26-24-34-23-25-37(29-40(34)30-39)38-27-28-46-45-19-9-10-22-47(45)50(3,4)48(46)31-38/h5-31H,1H2,2-4H3/b51-49-,52-33+
InChIKeyFXVXDAYBYAXTJN-DIKNEJSRSA-N
XLogP13.05
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.87
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[1-[7-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]ethenyl]-3-phenyl-N-[1-(3-phenylphenyl)ethylidene]benzenecarboximidamide
CID 144939324
2-(9,9-dimethylfluoren-2-yl)-7-[7-[7-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 123392580
2-(9,9-dimethylfluoren-2-yl)-7-[9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 123709509
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 58151561
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]chrysene
CID 140710683
2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene
CID 123907813
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 176588450
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
CID 20822253
11,11-dimethyl-9-naphthalen-2-ylbenzo[a]fluorene
CID 144938907
9-[7-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]phenanthrene
CID 58569626
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445

Frequently Asked Questions

What is the IUPAC name of 7-(9,9-dimethylfluoren-2-yl)-N'-(1-naphthalen-1-ylethenyl)-N-(1-naphthalen-1-ylethylidene)naphthalene-2-carboximidamide?
The IUPAC name of 7-(9,9-dimethylfluoren-2-yl)-N'-(1-naphthalen-1-ylethenyl)-N-(1-naphthalen-1-ylethylidene)naphthalene-2-carboximidamide (CID 144939296) is 7-(9,9-dimethylfluoren-2-yl)-N'-(1-naphthalen-1-ylethenyl)-N-(1-naphthalen-1-ylethylidene)naphthalene-2-carboximidamide.
What is the SMILES notation for 7-(9,9-dimethylfluoren-2-yl)-N'-(1-naphthalen-1-ylethenyl)-N-(1-naphthalen-1-ylethylidene)naphthalene-2-carboximidamide?
The canonical SMILES for 7-(9,9-dimethylfluoren-2-yl)-N'-(1-naphthalen-1-ylethenyl)-N-(1-naphthalen-1-ylethylidene)naphthalene-2-carboximidamide is C=C(/N=C(\N=C(/C)c1cccc2ccccc12)c1ccc2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2c1)c1cccc2ccccc12.
What is the InChIKey of 7-(9,9-dimethylfluoren-2-yl)-N'-(1-naphthalen-1-ylethenyl)-N-(1-naphthalen-1-ylethylidene)naphthalene-2-carboximidamide?
The InChIKey is FXVXDAYBYAXTJN-DIKNEJSRSA-N. The full InChI is InChI=1S/C50H38N2/c1-32(41-20-11-15-35-13-5-7-17-43(35)41)51-49(52-33(2)42-21-12-16-36-14-6-8-18-44(36)42)39-26-24-34-23-25-37(29-40(34)30-39)38-27-28-46-45-19-9-10-22-47(45)50(3,4)48(46)31-38/h5-31H,1H2,2-4H3/b51-49-,52-33+.
What are the key properties of 7-(9,9-dimethylfluoren-2-yl)-N'-(1-naphthalen-1-ylethenyl)-N-(1-naphthalen-1-ylethylidene)naphthalene-2-carboximidamide?
7-(9,9-dimethylfluoren-2-yl)-N'-(1-naphthalen-1-ylethenyl)-N-(1-naphthalen-1-ylethylidene)naphthalene-2-carboximidamide has a molecular weight of 666.87 g/mol, XLogP of 13.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(9,9-dimethylfluoren-2-yl)-N'-(1-naphthalen-1-ylethenyl)-N-(1-naphthalen-1-ylethylidene)naphthalene-2-carboximidamide is sourced from PubChem (CID 144939296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).