N-[phenyl-[[2-phenyl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]amino]methylidene]benzenecarboximidamide

C50H35N5 — CID 144925903

IUPACN-[phenyl-[[2-phenyl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]amino]methylidene]benzenecarboximidamide
SMILES[H]/N=C(/N=C(/Nn1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c(-c3ccccc3)cc21)c1ccccc1)c1ccccc1
InChIInChI=1S/C50H35N5/c51-49(35-19-7-2-8-20-35)52-50(36-21-9-3-10-22-36)53-55-47-28-16-14-26-40(47)44-32-41(42(33-48(44)55)34-17-5-1-6-18-34)37-29-30-46-43(31-37)39-25-13-15-27-45(39)54(46)38-23-11-4-12-24-38/h1-33H,(H2,51,52,53)
InChIKeyYKEKDEQEYSDELK-UHFFFAOYSA-N
MW705.87 g/mol
LogP12.24
Rot. Bonds6

About N-[phenyl-[[2-phenyl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]amino]methylidene]benzenecarboximidamide

N-[phenyl-[[2-phenyl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]amino]methylidene]benzenecarboximidamide (PubChem CID 144925903) has the molecular formula C50H35N5 and a molecular weight of 705.87 g/mol. Its IUPAC name is N-[phenyl-[[2-phenyl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]amino]methylidene]benzenecarboximidamide.

Molecular Properties

Compound NameN-[phenyl-[[2-phenyl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]amino]methylidene]benzenecarboximidamide
PubChem CID144925903
Molecular FormulaC50H35N5
Molecular Weight705.87 g/mol
Exact Mass705.29
IUPAC NameN-[phenyl-[[2-phenyl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]amino]methylidene]benzenecarboximidamide
SMILES[H]/N=C(/N=C(/Nn1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c(-c3ccccc3)cc21)c1ccccc1)c1ccccc1
InChIInChI=1S/C50H35N5/c51-49(35-19-7-2-8-20-35)52-50(36-21-9-3-10-22-36)53-55-47-28-16-14-26-40(47)44-32-41(42(33-48(44)55)34-17-5-1-6-18-34)37-29-30-46-43(31-37)39-25-13-15-27-45(39)54(46)38-23-11-4-12-24-38/h1-33H,(H2,51,52,53)
InChIKeyYKEKDEQEYSDELK-UHFFFAOYSA-N
XLogP12.24
TPSA58.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.87
LogP ≤ 512.24
H-Bond Donors ≤ 52
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-[phenyl-[(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)amino]methylidene]benzenecarboximidamide
CID 145094324
N,3-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)-N'-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)benzenecarboximidoyl]benzenecarboximidamide
CID 126652713
3,9-diphenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 90321526
2,9-diphenyl-3-(9-phenylcarbazol-2-yl)carbazole
CID 90321601
benzenecarboximidoyl 4-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]benzenecarboximidate
CID 158693887
benzenecarboximidoyl 4-[3-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzenecarboximidate
CID 147193372
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134598259
N'-(benzenecarboximidoyl)-3-[5-[9-(4-phenylphenyl)carbazol-2-yl]triphenylen-2-yl]benzenecarboximidamide
CID 145452787
3-(4,6-diphenylpyrimidin-2-yl)-9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 90348761
benzenecarboximidoyl 4-[2-[2-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]benzenecarboximidate
CID 143952725
3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole
CID 152852425

Frequently Asked Questions

What is the IUPAC name of N-[phenyl-[[2-phenyl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]amino]methylidene]benzenecarboximidamide?
The IUPAC name of N-[phenyl-[[2-phenyl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]amino]methylidene]benzenecarboximidamide (CID 144925903) is N-[phenyl-[[2-phenyl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]amino]methylidene]benzenecarboximidamide.
What is the SMILES notation for N-[phenyl-[[2-phenyl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]amino]methylidene]benzenecarboximidamide?
The canonical SMILES for N-[phenyl-[[2-phenyl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]amino]methylidene]benzenecarboximidamide is [H]/N=C(/N=C(/Nn1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c(-c3ccccc3)cc21)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[phenyl-[[2-phenyl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]amino]methylidene]benzenecarboximidamide?
The InChIKey is YKEKDEQEYSDELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N5/c51-49(35-19-7-2-8-20-35)52-50(36-21-9-3-10-22-36)53-55-47-28-16-14-26-40(47)44-32-41(42(33-48(44)55)34-17-5-1-6-18-34)37-29-30-46-43(31-37)39-25-13-15-27-45(39)54(46)38-23-11-4-12-24-38/h1-33H,(H2,51,52,53).
What are the key properties of N-[phenyl-[[2-phenyl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]amino]methylidene]benzenecarboximidamide?
N-[phenyl-[[2-phenyl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]amino]methylidene]benzenecarboximidamide has a molecular weight of 705.87 g/mol, XLogP of 12.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl-[[2-phenyl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]amino]methylidene]benzenecarboximidamide is sourced from PubChem (CID 144925903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).