N-[(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)methylidene]-N'-[(4-carbazol-9-ylphenyl)methyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzenecarboximidamide

C57H45N5 — CID 143485846

IUPACN-[(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)methylidene]-N'-[(4-carbazol-9-ylphenyl)methyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzenecarboximidamide
SMILESC/C=C\c1c(C)c2ccccc2n1-c1ccc(C(/N=C/C2C=CC(n3c4ccccc4c4ccccc43)=CC2)=N\Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C57H45N5/c1-3-14-51-39(2)46-15-4-9-20-52(46)60(51)45-35-29-42(30-36-45)57(58-37-40-25-31-43(32-26-40)61-53-21-10-5-16-47(53)48-17-6-11-22-54(48)61)59-38-41-27-33-44(34-28-41)62-55-23-12-7-18-49(55)50-19-8-13-24-56(50)62/h3-27,29-36,38,41H,28,37H2,1-2H3/b14-3-,58-57+,59-38+
InChIKeySBXAOZBEBJWKLX-SJGMHPBQSA-N
MW800.02 g/mol
LogP14.31
Rot. Bonds8

About N-[(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)methylidene]-N'-[(4-carbazol-9-ylphenyl)methyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzenecarboximidamide

N-[(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)methylidene]-N'-[(4-carbazol-9-ylphenyl)methyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzenecarboximidamide (PubChem CID 143485846) has the molecular formula C57H45N5 and a molecular weight of 800.02 g/mol. Its IUPAC name is N-[(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)methylidene]-N'-[(4-carbazol-9-ylphenyl)methyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzenecarboximidamide.

Molecular Properties

Compound NameN-[(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)methylidene]-N'-[(4-carbazol-9-ylphenyl)methyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzenecarboximidamide
PubChem CID143485846
Molecular FormulaC57H45N5
Molecular Weight800.02 g/mol
Exact Mass799.37
IUPAC NameN-[(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)methylidene]-N'-[(4-carbazol-9-ylphenyl)methyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzenecarboximidamide
SMILESC/C=C\c1c(C)c2ccccc2n1-c1ccc(C(/N=C/C2C=CC(n3c4ccccc4c4ccccc43)=CC2)=N\Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C57H45N5/c1-3-14-51-39(2)46-15-4-9-20-52(46)60(51)45-35-29-42(30-36-45)57(58-37-40-25-31-43(32-26-40)61-53-21-10-5-16-47(53)48-17-6-11-22-54(48)61)59-38-41-27-33-44(34-28-41)62-55-23-12-7-18-49(55)50-19-8-13-24-56(50)62/h3-27,29-36,38,41H,28,37H2,1-2H3/b14-3-,58-57+,59-38+
InChIKeySBXAOZBEBJWKLX-SJGMHPBQSA-N
XLogP14.31
TPSA39.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.02
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

9-(4-ethylcyclohexa-1,5-dien-1-yl)carbazole
CID 123432152
9-[4-(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 129310423
2-[(1Z)-buta-1,3-dienyl]-1-[4-[[4-[[4-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]phenyl]methyl]phenyl]methyl]phenyl]-3-methylindole;(3Z)-penta-1,3-diene
CID 143301073
9-[4-[(E)-prop-1-enyl]phenyl]carbazole
CID 58370912
(Z)-3-benzylimino-3-[4-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-phenylprop-1-en-1-amine
CID 142925758
1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane
CID 144783393
3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-9-(4-methylcyclohepta-1,6-dien-1-yl)carbazole
CID 143700195
3-[4-(3-methyl-2-prop-1-enylindol-1-yl)phenyl]-11-phenyl-[1,2,4]triazolo[4,3-f]phenanthridine
CID 123920998
N-(4-carbazol-9-ylphenyl)-9-[4-(N-(4-carbazol-9-ylphenyl)anilino)cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-4-amine
CID 126727435
3-methyl-9-[4-[(8-methyldibenzofuran-2-yl)methyl]cyclohexa-1,5-dien-1-yl]carbazole
CID 144782323
9-[4-[3-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]phenyl]-1,4-bis(4-carbazol-9-ylphenyl)naphthalen-2-yl]phenyl]carbazole
CID 89334592
9-[4-[(E)-3-(4-carbazol-9-ylphenyl)but-2-en-2-yl]phenyl]carbazole
CID 140924005

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)methylidene]-N'-[(4-carbazol-9-ylphenyl)methyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzenecarboximidamide?
The IUPAC name of N-[(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)methylidene]-N'-[(4-carbazol-9-ylphenyl)methyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzenecarboximidamide (CID 143485846) is N-[(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)methylidene]-N'-[(4-carbazol-9-ylphenyl)methyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzenecarboximidamide.
What is the SMILES notation for N-[(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)methylidene]-N'-[(4-carbazol-9-ylphenyl)methyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzenecarboximidamide?
The canonical SMILES for N-[(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)methylidene]-N'-[(4-carbazol-9-ylphenyl)methyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzenecarboximidamide is C/C=C\c1c(C)c2ccccc2n1-c1ccc(C(/N=C/C2C=CC(n3c4ccccc4c4ccccc43)=CC2)=N\Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of N-[(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)methylidene]-N'-[(4-carbazol-9-ylphenyl)methyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzenecarboximidamide?
The InChIKey is SBXAOZBEBJWKLX-SJGMHPBQSA-N. The full InChI is InChI=1S/C57H45N5/c1-3-14-51-39(2)46-15-4-9-20-52(46)60(51)45-35-29-42(30-36-45)57(58-37-40-25-31-43(32-26-40)61-53-21-10-5-16-47(53)48-17-6-11-22-54(48)61)59-38-41-27-33-44(34-28-41)62-55-23-12-7-18-49(55)50-19-8-13-24-56(50)62/h3-27,29-36,38,41H,28,37H2,1-2H3/b14-3-,58-57+,59-38+.
What are the key properties of N-[(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)methylidene]-N'-[(4-carbazol-9-ylphenyl)methyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzenecarboximidamide?
N-[(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)methylidene]-N'-[(4-carbazol-9-ylphenyl)methyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzenecarboximidamide has a molecular weight of 800.02 g/mol, XLogP of 14.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)methylidene]-N'-[(4-carbazol-9-ylphenyl)methyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzenecarboximidamide is sourced from PubChem (CID 143485846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).