9H-carbazole;N'-[(Z)-1-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-phenanthren-9-ylphenyl)prop-1-enyl]benzenecarboximidamide;ethane;propane

C71H62N4 — CID 144680677

IUPAC9H-carbazole;N'-[(Z)-1-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-phenanthren-9-ylphenyl)prop-1-enyl]benzenecarboximidamide;ethane;propane
SMILESCC.CCC.N/C(=N\C(=C/Cc1ccc(-c2cc3ccccc3c3ccccc23)cc1)c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1)c1ccccc1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C54H39N3.C12H9N.C3H8.C2H6/c55-54(41-13-2-1-3-14-41)56-51(34-27-37-25-28-39(29-26-37)50-36-43-15-4-5-18-45(43)46-19-6-7-20-47(46)50)40-32-30-38(31-33-40)42-16-12-17-44(35-42)57-52-23-10-8-21-48(52)49-22-9-11-24-53(49)57;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-2;1-2/h1-26,28-36H,27H2,(H2,55,56);1-8,13H;3H2,1-2H3;1-2H3/b51-34-;;;
InChIKeyQRIAIWJMWFCOCN-BVQAOXFXSA-N
MW971.30 g/mol
LogP19.18
Rot. Bonds8

About 9H-carbazole;N'-[(Z)-1-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-phenanthren-9-ylphenyl)prop-1-enyl]benzenecarboximidamide;ethane;propane

9H-carbazole;N'-[(Z)-1-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-phenanthren-9-ylphenyl)prop-1-enyl]benzenecarboximidamide;ethane;propane (PubChem CID 144680677) has the molecular formula C71H62N4 and a molecular weight of 971.30 g/mol. Its IUPAC name is 9H-carbazole;N'-[(Z)-1-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-phenanthren-9-ylphenyl)prop-1-enyl]benzenecarboximidamide;ethane;propane.

Molecular Properties

Compound Name9H-carbazole;N'-[(Z)-1-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-phenanthren-9-ylphenyl)prop-1-enyl]benzenecarboximidamide;ethane;propane
PubChem CID144680677
Molecular FormulaC71H62N4
Molecular Weight971.30 g/mol
Exact Mass970.50
IUPAC Name9H-carbazole;N'-[(Z)-1-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-phenanthren-9-ylphenyl)prop-1-enyl]benzenecarboximidamide;ethane;propane
SMILESCC.CCC.N/C(=N\C(=C/Cc1ccc(-c2cc3ccccc3c3ccccc23)cc1)c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1)c1ccccc1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C54H39N3.C12H9N.C3H8.C2H6/c55-54(41-13-2-1-3-14-41)56-51(34-27-37-25-28-39(29-26-37)50-36-43-15-4-5-18-45(43)46-19-6-7-20-47(46)50)40-32-30-38(31-33-40)42-16-12-17-44(35-42)57-52-23-10-8-21-48(52)49-22-9-11-24-53(49)57;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-2;1-2/h1-26,28-36H,27H2,(H2,55,56);1-8,13H;3H2,1-2H3;1-2H3/b51-34-;;;
InChIKeyQRIAIWJMWFCOCN-BVQAOXFXSA-N
XLogP19.18
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.30
LogP ≤ 519.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-1-[3-(4-carbazol-9-ylphenyl)phenyl]-3-phenylprop-1-enyl]benzenecarboximidamide
CID 143099604
N'-[(Z)-1-[4-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-enyl]benzenecarboximidamide
CID 145327293
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 146578391
N'-[(Z)-3-[4-(7-tert-butyl-6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-1-phenylprop-1-enyl]benzenecarboximidamide
CID 145018307
3-(9H-carbazol-2-yl)-9-(3-phenylphenyl)carbazole
CID 122652205
ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole
CID 144989994
2-(3-carbazol-9-ylphenyl)-9H-carbazole
CID 118378581
9-[3-[4-[4-(3-naphthalen-1-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-(3-phenanthren-9-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 161094914
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-(4-phenylphenyl)aniline
CID 158562169
3,9-bis(4-naphthalen-1-ylphenyl)carbazole;3-(4-naphthalen-1-ylphenyl)-9-(3-phenylphenyl)carbazole
CID 157309871
9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
CID 118531170
9-[3,5-di(phenanthren-9-yl)phenyl]-3,6-bis(4-phenylphenyl)carbazole;ethane
CID 144963563

Frequently Asked Questions

What is the IUPAC name of 9H-carbazole;N'-[(Z)-1-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-phenanthren-9-ylphenyl)prop-1-enyl]benzenecarboximidamide;ethane;propane?
The IUPAC name of 9H-carbazole;N'-[(Z)-1-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-phenanthren-9-ylphenyl)prop-1-enyl]benzenecarboximidamide;ethane;propane (CID 144680677) is 9H-carbazole;N'-[(Z)-1-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-phenanthren-9-ylphenyl)prop-1-enyl]benzenecarboximidamide;ethane;propane.
What is the SMILES notation for 9H-carbazole;N'-[(Z)-1-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-phenanthren-9-ylphenyl)prop-1-enyl]benzenecarboximidamide;ethane;propane?
The canonical SMILES for 9H-carbazole;N'-[(Z)-1-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-phenanthren-9-ylphenyl)prop-1-enyl]benzenecarboximidamide;ethane;propane is CC.CCC.N/C(=N\C(=C/Cc1ccc(-c2cc3ccccc3c3ccccc23)cc1)c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1)c1ccccc1.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 9H-carbazole;N'-[(Z)-1-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-phenanthren-9-ylphenyl)prop-1-enyl]benzenecarboximidamide;ethane;propane?
The InChIKey is QRIAIWJMWFCOCN-BVQAOXFXSA-N. The full InChI is InChI=1S/C54H39N3.C12H9N.C3H8.C2H6/c55-54(41-13-2-1-3-14-41)56-51(34-27-37-25-28-39(29-26-37)50-36-43-15-4-5-18-45(43)46-19-6-7-20-47(46)50)40-32-30-38(31-33-40)42-16-12-17-44(35-42)57-52-23-10-8-21-48(52)49-22-9-11-24-53(49)57;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-2;1-2/h1-26,28-36H,27H2,(H2,55,56);1-8,13H;3H2,1-2H3;1-2H3/b51-34-;;;.
What are the key properties of 9H-carbazole;N'-[(Z)-1-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-phenanthren-9-ylphenyl)prop-1-enyl]benzenecarboximidamide;ethane;propane?
9H-carbazole;N'-[(Z)-1-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-phenanthren-9-ylphenyl)prop-1-enyl]benzenecarboximidamide;ethane;propane has a molecular weight of 971.30 g/mol, XLogP of 19.18, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole;N'-[(Z)-1-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-phenanthren-9-ylphenyl)prop-1-enyl]benzenecarboximidamide;ethane;propane is sourced from PubChem (CID 144680677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).