N'-[(Z)-1-[3-benzo[c]carbazol-7-yl-5-(3,4-dihydrobenzo[c]carbazol-7-yl)phenyl]-3-(2-phenylphenyl)prop-1-enyl]benzenecarboximidamide

C60H44N4 — CID 166656546

IUPACN'-[(Z)-1-[3-benzo[c]carbazol-7-yl-5-(3,4-dihydrobenzo[c]carbazol-7-yl)phenyl]-3-(2-phenylphenyl)prop-1-enyl]benzenecarboximidamide
SMILESN/C(=N\C(=C/Cc1ccccc1-c1ccccc1)c1cc(-n2c3ccccc3c3c4c(ccc32)CCC=C4)cc(-n2c3ccccc3c3c4ccccc4ccc32)c1)c1ccccc1
InChIInChI=1S/C60H44N4/c61-60(44-22-5-2-6-23-44)62-53(34-31-41-19-7-10-24-48(41)40-17-3-1-4-18-40)45-37-46(63-54-29-15-13-27-51(54)58-49-25-11-8-20-42(49)32-35-56(58)63)39-47(38-45)64-55-30-16-14-28-52(55)59-50-26-12-9-21-43(50)33-36-57(59)64/h1-8,10-20,22-30,32-39H,9,21,31H2,(H2,61,62)/b53-34-
InChIKeyNPZQSBUBCAHMPR-TWCYRQSXSA-N
MW821.04 g/mol
LogP14.65
Rot. Bonds8

About N'-[(Z)-1-[3-benzo[c]carbazol-7-yl-5-(3,4-dihydrobenzo[c]carbazol-7-yl)phenyl]-3-(2-phenylphenyl)prop-1-enyl]benzenecarboximidamide

N'-[(Z)-1-[3-benzo[c]carbazol-7-yl-5-(3,4-dihydrobenzo[c]carbazol-7-yl)phenyl]-3-(2-phenylphenyl)prop-1-enyl]benzenecarboximidamide (PubChem CID 166656546) has the molecular formula C60H44N4 and a molecular weight of 821.04 g/mol. Its IUPAC name is N'-[(Z)-1-[3-benzo[c]carbazol-7-yl-5-(3,4-dihydrobenzo[c]carbazol-7-yl)phenyl]-3-(2-phenylphenyl)prop-1-enyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(Z)-1-[3-benzo[c]carbazol-7-yl-5-(3,4-dihydrobenzo[c]carbazol-7-yl)phenyl]-3-(2-phenylphenyl)prop-1-enyl]benzenecarboximidamide
PubChem CID166656546
Molecular FormulaC60H44N4
Molecular Weight821.04 g/mol
Exact Mass820.36
IUPAC NameN'-[(Z)-1-[3-benzo[c]carbazol-7-yl-5-(3,4-dihydrobenzo[c]carbazol-7-yl)phenyl]-3-(2-phenylphenyl)prop-1-enyl]benzenecarboximidamide
SMILESN/C(=N\C(=C/Cc1ccccc1-c1ccccc1)c1cc(-n2c3ccccc3c3c4c(ccc32)CCC=C4)cc(-n2c3ccccc3c3c4ccccc4ccc32)c1)c1ccccc1
InChIInChI=1S/C60H44N4/c61-60(44-22-5-2-6-23-44)62-53(34-31-41-19-7-10-24-48(41)40-17-3-1-4-18-40)45-37-46(63-54-29-15-13-27-51(54)58-49-25-11-8-20-42(49)32-35-56(58)63)39-47(38-45)64-55-30-16-14-28-52(55)59-50-26-12-9-21-43(50)33-36-57(59)64/h1-8,10-20,22-30,32-39H,9,21,31H2,(H2,61,62)/b53-34-
InChIKeyNPZQSBUBCAHMPR-TWCYRQSXSA-N
XLogP14.65
TPSA48.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.04
LogP ≤ 514.65
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

N'-[(Z)-3-phenyl-1-[4-(6-thia-25-azaheptacyclo[15.11.0.02,14.05,13.07,12.018,26.019,24]octacosa-1(17),2(14),3,5(13),7,9,11,15,18(26),19,21,23,27-tridecaen-25-yl)phenyl]prop-1-enyl]benzenecarboximidamide
CID 142289850
(9Z)-9-[2-[4-[3-(7-phenylbenzo[c]carbazol-10-yl)carbazol-9-yl]phenyl]ethylidene]-1,2-dihydrofluoren-1-amine
CID 145167283
3-[4-(1-carbazol-9-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 166917771
12-[4-(4,6-diphenylpyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21),19-nonaene
CID 156553604
N-[amino-(4-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene
CID 145313054
N-(4-carbazol-9-ylphenyl)-N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 167222301
9H-carbazole;N'-[(Z)-1-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-phenanthren-9-ylphenyl)prop-1-enyl]benzenecarboximidamide;ethane;propane
CID 144680677
9-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),18-octaene
CID 130184110
N-[amino-(3-phenylphenyl)methylidene]-5-benzo[c]carbazol-7-ylpyridine-3-carboximidamide;toluene
CID 145299401
12-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21),19-nonaene
CID 156553616
N,7-diphenyl-N-[4-(4-phenylphenyl)phenyl]-3,4-dihydrobenzo[g]carbazol-9-amine
CID 145362267
7-(2,6-diphenyl-4-pyridinyl)benzo[c]carbazole
CID 70836984

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-[3-benzo[c]carbazol-7-yl-5-(3,4-dihydrobenzo[c]carbazol-7-yl)phenyl]-3-(2-phenylphenyl)prop-1-enyl]benzenecarboximidamide?
The IUPAC name of N'-[(Z)-1-[3-benzo[c]carbazol-7-yl-5-(3,4-dihydrobenzo[c]carbazol-7-yl)phenyl]-3-(2-phenylphenyl)prop-1-enyl]benzenecarboximidamide (CID 166656546) is N'-[(Z)-1-[3-benzo[c]carbazol-7-yl-5-(3,4-dihydrobenzo[c]carbazol-7-yl)phenyl]-3-(2-phenylphenyl)prop-1-enyl]benzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-1-[3-benzo[c]carbazol-7-yl-5-(3,4-dihydrobenzo[c]carbazol-7-yl)phenyl]-3-(2-phenylphenyl)prop-1-enyl]benzenecarboximidamide?
The canonical SMILES for N'-[(Z)-1-[3-benzo[c]carbazol-7-yl-5-(3,4-dihydrobenzo[c]carbazol-7-yl)phenyl]-3-(2-phenylphenyl)prop-1-enyl]benzenecarboximidamide is N/C(=N\C(=C/Cc1ccccc1-c1ccccc1)c1cc(-n2c3ccccc3c3c4c(ccc32)CCC=C4)cc(-n2c3ccccc3c3c4ccccc4ccc32)c1)c1ccccc1.
What is the InChIKey of N'-[(Z)-1-[3-benzo[c]carbazol-7-yl-5-(3,4-dihydrobenzo[c]carbazol-7-yl)phenyl]-3-(2-phenylphenyl)prop-1-enyl]benzenecarboximidamide?
The InChIKey is NPZQSBUBCAHMPR-TWCYRQSXSA-N. The full InChI is InChI=1S/C60H44N4/c61-60(44-22-5-2-6-23-44)62-53(34-31-41-19-7-10-24-48(41)40-17-3-1-4-18-40)45-37-46(63-54-29-15-13-27-51(54)58-49-25-11-8-20-42(49)32-35-56(58)63)39-47(38-45)64-55-30-16-14-28-52(55)59-50-26-12-9-21-43(50)33-36-57(59)64/h1-8,10-20,22-30,32-39H,9,21,31H2,(H2,61,62)/b53-34-.
What are the key properties of N'-[(Z)-1-[3-benzo[c]carbazol-7-yl-5-(3,4-dihydrobenzo[c]carbazol-7-yl)phenyl]-3-(2-phenylphenyl)prop-1-enyl]benzenecarboximidamide?
N'-[(Z)-1-[3-benzo[c]carbazol-7-yl-5-(3,4-dihydrobenzo[c]carbazol-7-yl)phenyl]-3-(2-phenylphenyl)prop-1-enyl]benzenecarboximidamide has a molecular weight of 821.04 g/mol, XLogP of 14.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-[3-benzo[c]carbazol-7-yl-5-(3,4-dihydrobenzo[c]carbazol-7-yl)phenyl]-3-(2-phenylphenyl)prop-1-enyl]benzenecarboximidamide is sourced from PubChem (CID 166656546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).