N'-[2-(1-phenylethyl)phenyl]-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]benzenecarboximidamide

C55H40N4O — CID 142324237

IUPACN'-[2-(1-phenylethyl)phenyl]-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]benzenecarboximidamide
SMILESCC(c1ccccc1)c1ccccc1/N=C(\N)c1cccc(-n2c3ccc4ccccc4c3c3cccc(-c4ccc5c(c4)Oc4ccccc4N5c4ccccc4)c32)c1
InChIInChI=1S/C55H40N4O/c1-36(37-16-4-2-5-17-37)43-23-10-11-27-47(43)57-55(56)40-19-14-22-42(34-40)59-50-33-30-38-18-8-9-24-44(38)53(50)46-26-15-25-45(54(46)59)39-31-32-49-52(35-39)60-51-29-13-12-28-48(51)58(49)41-20-6-3-7-21-41/h2-36H,1H3,(H2,56,57)
InChIKeySLHFFRPSHWQVID-UHFFFAOYSA-N
MW772.95 g/mol
LogP14.37
Rot. Bonds7

About N'-[2-(1-phenylethyl)phenyl]-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]benzenecarboximidamide

N'-[2-(1-phenylethyl)phenyl]-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]benzenecarboximidamide (PubChem CID 142324237) has the molecular formula C55H40N4O and a molecular weight of 772.95 g/mol. Its IUPAC name is N'-[2-(1-phenylethyl)phenyl]-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[2-(1-phenylethyl)phenyl]-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]benzenecarboximidamide
PubChem CID142324237
Molecular FormulaC55H40N4O
Molecular Weight772.95 g/mol
Exact Mass772.32
IUPAC NameN'-[2-(1-phenylethyl)phenyl]-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]benzenecarboximidamide
SMILESCC(c1ccccc1)c1ccccc1/N=C(\N)c1cccc(-n2c3ccc4ccccc4c3c3cccc(-c4ccc5c(c4)Oc4ccccc4N5c4ccccc4)c32)c1
InChIInChI=1S/C55H40N4O/c1-36(37-16-4-2-5-17-37)43-23-10-11-27-47(43)57-55(56)40-19-14-22-42(34-40)59-50-33-30-38-18-8-9-24-44(38)53(50)46-26-15-25-45(54(46)59)39-31-32-49-52(35-39)60-51-29-13-12-28-48(51)58(49)41-20-6-3-7-21-41/h2-36H,1H3,(H2,56,57)
InChIKeySLHFFRPSHWQVID-UHFFFAOYSA-N
XLogP14.37
TPSA55.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.95
LogP ≤ 514.37
H-Bond Donors ≤ 51
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

10-phenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[c]carbazol-11-yl]phenoxazine
CID 134431759
(Z)-3-imino-1-phenyl-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]prop-1-en-1-amine;1-methyl-4-phenylbenzene
CID 142324064
10-phenyl-3-[7-[4-(4-phenyl-4a,8a-dihydroquinazolin-2-yl)phenyl]benzo[g]carbazol-8-yl]phenoxazine
CID 134432063
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole
CID 134431503
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 163429067
2-[7-[3-[4-ethenyl-5-methyl-6-(4-phenylcyclohepta-1,3,6-trien-1-yl)pyrimidin-2-yl]phenyl]benzo[g]carbazol-8-yl]-10-phenylphenoxazine
CID 142324089
10-phenyl-2-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-10-yl]phenoxazine
CID 134430890
10-phenyl-2-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenoxazine
CID 134432123
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole
CID 134431501
10-(4-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798
8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 142571634
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 134431410

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-phenylethyl)phenyl]-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]benzenecarboximidamide?
The IUPAC name of N'-[2-(1-phenylethyl)phenyl]-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]benzenecarboximidamide (CID 142324237) is N'-[2-(1-phenylethyl)phenyl]-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]benzenecarboximidamide.
What is the SMILES notation for N'-[2-(1-phenylethyl)phenyl]-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]benzenecarboximidamide?
The canonical SMILES for N'-[2-(1-phenylethyl)phenyl]-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]benzenecarboximidamide is CC(c1ccccc1)c1ccccc1/N=C(\N)c1cccc(-n2c3ccc4ccccc4c3c3cccc(-c4ccc5c(c4)Oc4ccccc4N5c4ccccc4)c32)c1.
What is the InChIKey of N'-[2-(1-phenylethyl)phenyl]-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]benzenecarboximidamide?
The InChIKey is SLHFFRPSHWQVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N4O/c1-36(37-16-4-2-5-17-37)43-23-10-11-27-47(43)57-55(56)40-19-14-22-42(34-40)59-50-33-30-38-18-8-9-24-44(38)53(50)46-26-15-25-45(54(46)59)39-31-32-49-52(35-39)60-51-29-13-12-28-48(51)58(49)41-20-6-3-7-21-41/h2-36H,1H3,(H2,56,57).
What are the key properties of N'-[2-(1-phenylethyl)phenyl]-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]benzenecarboximidamide?
N'-[2-(1-phenylethyl)phenyl]-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]benzenecarboximidamide has a molecular weight of 772.95 g/mol, XLogP of 14.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-phenylethyl)phenyl]-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]benzenecarboximidamide is sourced from PubChem (CID 142324237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).