N'-[(Z)-1,3-bis(3-phenylphenyl)but-1-enyl]-12-phenylindolo[3,2-c]carbazole-5-carboximidamide

C53H40N4 — CID 163763691

IUPACN'-[(Z)-1,3-bis(3-phenylphenyl)but-1-enyl]-12-phenylindolo[3,2-c]carbazole-5-carboximidamide
SMILESCC(/C=C(\N=C(/N)n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12)c1cccc(-c2ccccc2)c1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C53H40N4/c1-36(39-21-15-22-40(34-39)37-17-5-2-6-18-37)33-47(42-24-16-23-41(35-42)38-19-7-3-8-20-38)55-53(54)57-49-30-14-12-28-46(49)51-50(57)32-31-45-44-27-11-13-29-48(44)56(52(45)51)43-25-9-4-10-26-43/h2-36H,1H3,(H2,54,55)/b47-33-
InChIKeyHLQRSUHLWXRNHJ-GYHSTGKTSA-N
MW732.93 g/mol
LogP13.23
Rot. Bonds7

About N'-[(Z)-1,3-bis(3-phenylphenyl)but-1-enyl]-12-phenylindolo[3,2-c]carbazole-5-carboximidamide

N'-[(Z)-1,3-bis(3-phenylphenyl)but-1-enyl]-12-phenylindolo[3,2-c]carbazole-5-carboximidamide (PubChem CID 163763691) has the molecular formula C53H40N4 and a molecular weight of 732.93 g/mol. Its IUPAC name is N'-[(Z)-1,3-bis(3-phenylphenyl)but-1-enyl]-12-phenylindolo[3,2-c]carbazole-5-carboximidamide.

Molecular Properties

Compound NameN'-[(Z)-1,3-bis(3-phenylphenyl)but-1-enyl]-12-phenylindolo[3,2-c]carbazole-5-carboximidamide
PubChem CID163763691
Molecular FormulaC53H40N4
Molecular Weight732.93 g/mol
Exact Mass732.33
IUPAC NameN'-[(Z)-1,3-bis(3-phenylphenyl)but-1-enyl]-12-phenylindolo[3,2-c]carbazole-5-carboximidamide
SMILESCC(/C=C(\N=C(/N)n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12)c1cccc(-c2ccccc2)c1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C53H40N4/c1-36(39-21-15-22-40(34-39)37-17-5-2-6-18-37)33-47(42-24-16-23-41(35-42)38-19-7-3-8-20-38)55-53(54)57-49-30-14-12-28-46(49)51-50(57)32-31-45-44-27-11-13-29-48(44)56(52(45)51)43-25-9-4-10-26-43/h2-36H,1H3,(H2,54,55)/b47-33-
InChIKeyHLQRSUHLWXRNHJ-GYHSTGKTSA-N
XLogP13.23
TPSA48.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.93
LogP ≤ 513.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-phenyl-N-[(Z)-3-phenyl-1-[9-(4-phenylphenyl)carbazol-3-yl]but-1-enyl]ethanimine
CID 144542320
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834
16,38-diphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(45),2,4(24),6(18),7,9(17),10,12,14,19,21,23(46),25,28(40),29,31(39),32,34,36,41,43-henicosaene
CID 146512233
5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
5-(3-phenylphenyl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 164847593
N'-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-3-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole-9-carboximidamide
CID 144531386
12-[4-(3-carbazol-9-ylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159456602

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1,3-bis(3-phenylphenyl)but-1-enyl]-12-phenylindolo[3,2-c]carbazole-5-carboximidamide?
The IUPAC name of N'-[(Z)-1,3-bis(3-phenylphenyl)but-1-enyl]-12-phenylindolo[3,2-c]carbazole-5-carboximidamide (CID 163763691) is N'-[(Z)-1,3-bis(3-phenylphenyl)but-1-enyl]-12-phenylindolo[3,2-c]carbazole-5-carboximidamide.
What is the SMILES notation for N'-[(Z)-1,3-bis(3-phenylphenyl)but-1-enyl]-12-phenylindolo[3,2-c]carbazole-5-carboximidamide?
The canonical SMILES for N'-[(Z)-1,3-bis(3-phenylphenyl)but-1-enyl]-12-phenylindolo[3,2-c]carbazole-5-carboximidamide is CC(/C=C(\N=C(/N)n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12)c1cccc(-c2ccccc2)c1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of N'-[(Z)-1,3-bis(3-phenylphenyl)but-1-enyl]-12-phenylindolo[3,2-c]carbazole-5-carboximidamide?
The InChIKey is HLQRSUHLWXRNHJ-GYHSTGKTSA-N. The full InChI is InChI=1S/C53H40N4/c1-36(39-21-15-22-40(34-39)37-17-5-2-6-18-37)33-47(42-24-16-23-41(35-42)38-19-7-3-8-20-38)55-53(54)57-49-30-14-12-28-46(49)51-50(57)32-31-45-44-27-11-13-29-48(44)56(52(45)51)43-25-9-4-10-26-43/h2-36H,1H3,(H2,54,55)/b47-33-.
What are the key properties of N'-[(Z)-1,3-bis(3-phenylphenyl)but-1-enyl]-12-phenylindolo[3,2-c]carbazole-5-carboximidamide?
N'-[(Z)-1,3-bis(3-phenylphenyl)but-1-enyl]-12-phenylindolo[3,2-c]carbazole-5-carboximidamide has a molecular weight of 732.93 g/mol, XLogP of 13.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1,3-bis(3-phenylphenyl)but-1-enyl]-12-phenylindolo[3,2-c]carbazole-5-carboximidamide is sourced from PubChem (CID 163763691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).