N'-[(Z)-1-[3-(4-carbazol-9-ylphenyl)phenyl]-3-phenylprop-1-enyl]benzenecarboximidamide

C40H31N3 — CID 143099604

IUPACN'-[(Z)-1-[3-(4-carbazol-9-ylphenyl)phenyl]-3-phenylprop-1-enyl]benzenecarboximidamide
SMILESN/C(=N\C(=C/Cc1ccccc1)c1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1)c1ccccc1
InChIInChI=1S/C40H31N3/c41-40(31-14-5-2-6-15-31)42-37(27-22-29-12-3-1-4-13-29)33-17-11-16-32(28-33)30-23-25-34(26-24-30)43-38-20-9-7-18-35(38)36-19-8-10-21-39(36)43/h1-21,23-28H,22H2,(H2,41,42)/b37-27-
InChIKeyBTXZCVZXCZGZFY-QOSQFQCFSA-N
MW553.71 g/mol
LogP9.44
Rot. Bonds7

About N'-[(Z)-1-[3-(4-carbazol-9-ylphenyl)phenyl]-3-phenylprop-1-enyl]benzenecarboximidamide

N'-[(Z)-1-[3-(4-carbazol-9-ylphenyl)phenyl]-3-phenylprop-1-enyl]benzenecarboximidamide (PubChem CID 143099604) has the molecular formula C40H31N3 and a molecular weight of 553.71 g/mol. Its IUPAC name is N'-[(Z)-1-[3-(4-carbazol-9-ylphenyl)phenyl]-3-phenylprop-1-enyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(Z)-1-[3-(4-carbazol-9-ylphenyl)phenyl]-3-phenylprop-1-enyl]benzenecarboximidamide
PubChem CID143099604
Molecular FormulaC40H31N3
Molecular Weight553.71 g/mol
Exact Mass553.25
IUPAC NameN'-[(Z)-1-[3-(4-carbazol-9-ylphenyl)phenyl]-3-phenylprop-1-enyl]benzenecarboximidamide
SMILESN/C(=N\C(=C/Cc1ccccc1)c1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1)c1ccccc1
InChIInChI=1S/C40H31N3/c41-40(31-14-5-2-6-15-31)42-37(27-22-29-12-3-1-4-13-29)33-17-11-16-32(28-33)30-23-25-34(26-24-30)43-38-20-9-7-18-35(38)36-19-8-10-21-39(36)43/h1-21,23-28H,22H2,(H2,41,42)/b37-27-
InChIKeyBTXZCVZXCZGZFY-QOSQFQCFSA-N
XLogP9.44
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.71
LogP ≤ 59.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

9H-carbazole;N'-[(Z)-1-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-phenanthren-9-ylphenyl)prop-1-enyl]benzenecarboximidamide;ethane;propane
CID 144680677
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
N'-[(Z)-3-[4-(7-tert-butyl-6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-1-phenylprop-1-enyl]benzenecarboximidamide
CID 145018307
N-[1-[3-(4-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylprop-1-enyl]-2-methyl-1-phenylbutan-1-imine
CID 123923571
N'-[(2Z,5Z,7Z)-7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-7-cyclohexa-2,4-dien-1-ylidene-4-methylidene-1-phenylhepta-2,5-dien-3-yl]benzenecarboximidamide
CID 167256765
N'-(benzenecarboximidoyl)-3-[5-[9-(4-phenylphenyl)carbazol-2-yl]triphenylen-2-yl]benzenecarboximidamide
CID 145452787
N'-[(Z)-1-[4-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-3-(4-phenylphenyl)prop-1-enyl]benzenecarboximidamide
CID 145327293
9-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 118595106
9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159046230
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 138747135
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
6-amino-5-methyl-1-(3-phenylcarbazol-9-yl)-N'-[(Z)-3-phenyl-1-(4-phenylphenyl)prop-1-enyl]carbazole-9-carboximidamide;toluene
CID 145358067

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-[3-(4-carbazol-9-ylphenyl)phenyl]-3-phenylprop-1-enyl]benzenecarboximidamide?
The IUPAC name of N'-[(Z)-1-[3-(4-carbazol-9-ylphenyl)phenyl]-3-phenylprop-1-enyl]benzenecarboximidamide (CID 143099604) is N'-[(Z)-1-[3-(4-carbazol-9-ylphenyl)phenyl]-3-phenylprop-1-enyl]benzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-1-[3-(4-carbazol-9-ylphenyl)phenyl]-3-phenylprop-1-enyl]benzenecarboximidamide?
The canonical SMILES for N'-[(Z)-1-[3-(4-carbazol-9-ylphenyl)phenyl]-3-phenylprop-1-enyl]benzenecarboximidamide is N/C(=N\C(=C/Cc1ccccc1)c1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1)c1ccccc1.
What is the InChIKey of N'-[(Z)-1-[3-(4-carbazol-9-ylphenyl)phenyl]-3-phenylprop-1-enyl]benzenecarboximidamide?
The InChIKey is BTXZCVZXCZGZFY-QOSQFQCFSA-N. The full InChI is InChI=1S/C40H31N3/c41-40(31-14-5-2-6-15-31)42-37(27-22-29-12-3-1-4-13-29)33-17-11-16-32(28-33)30-23-25-34(26-24-30)43-38-20-9-7-18-35(38)36-19-8-10-21-39(36)43/h1-21,23-28H,22H2,(H2,41,42)/b37-27-.
What are the key properties of N'-[(Z)-1-[3-(4-carbazol-9-ylphenyl)phenyl]-3-phenylprop-1-enyl]benzenecarboximidamide?
N'-[(Z)-1-[3-(4-carbazol-9-ylphenyl)phenyl]-3-phenylprop-1-enyl]benzenecarboximidamide has a molecular weight of 553.71 g/mol, XLogP of 9.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-[3-(4-carbazol-9-ylphenyl)phenyl]-3-phenylprop-1-enyl]benzenecarboximidamide is sourced from PubChem (CID 143099604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).