4-naphthalen-2-yl-N-phenyl-N-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]benzenecarboximidoyl]benzenecarboximidamide

C60H42N4 — CID 160592057

IUPAC4-naphthalen-2-yl-N-phenyl-N-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]benzenecarboximidoyl]benzenecarboximidamide
SMILES[H]/N=C(/c1ccc(-c2ccccc2-c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1)N(/C(=N/[H])c1ccc(-c2ccc3ccccc3c2)cc1)c1ccccc1
InChIInChI=1S/C60H42N4/c61-59(44-32-27-42(28-33-44)47-36-29-41-15-7-8-16-46(41)39-47)64(50-19-5-2-6-20-50)60(62)45-34-30-43(31-35-45)51-21-9-11-23-53(51)54-24-12-10-22-52(54)48-37-38-58-56(40-48)55-25-13-14-26-57(55)63(58)49-17-3-1-4-18-49/h1-40,61-62H/b61-59+,62-60-
InChIKeyRDDRGJVQPXWVFM-MWNXQNFJSA-N
MW819.02 g/mol
LogP15.46
Rot. Bonds8

About 4-naphthalen-2-yl-N-phenyl-N-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]benzenecarboximidoyl]benzenecarboximidamide

4-naphthalen-2-yl-N-phenyl-N-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]benzenecarboximidoyl]benzenecarboximidamide (PubChem CID 160592057) has the molecular formula C60H42N4 and a molecular weight of 819.02 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-phenyl-N-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]benzenecarboximidoyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-phenyl-N-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]benzenecarboximidoyl]benzenecarboximidamide
PubChem CID160592057
Molecular FormulaC60H42N4
Molecular Weight819.02 g/mol
Exact Mass818.34
IUPAC Name4-naphthalen-2-yl-N-phenyl-N-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]benzenecarboximidoyl]benzenecarboximidamide
SMILES[H]/N=C(/c1ccc(-c2ccccc2-c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1)N(/C(=N/[H])c1ccc(-c2ccc3ccccc3c2)cc1)c1ccccc1
InChIInChI=1S/C60H42N4/c61-59(44-32-27-42(28-33-44)47-36-29-41-15-7-8-16-46(41)39-47)64(50-19-5-2-6-20-50)60(62)45-34-30-43(31-35-45)51-21-9-11-23-53(51)54-24-12-10-22-52(54)48-37-38-58-56(40-48)55-25-13-14-26-57(55)63(58)49-17-3-1-4-18-49/h1-40,61-62H/b61-59+,62-60-
InChIKeyRDDRGJVQPXWVFM-MWNXQNFJSA-N
XLogP15.46
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.02
LogP ≤ 515.46
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-(4-carbazol-9-ylphenyl)-4-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]aniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]aniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158908481
3-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 170244502
N-[4-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118103057
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
3-[4-[2-[9-(2-naphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole;3-[4-[3-[9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole;3-[4-[4-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole
CID 162107849
N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
CID 59501688
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[3-(2-phenylphenyl)phenyl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 165109371
3-[3-[2-[9-(3,5-dinaphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole
CID 126764159
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956515
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(2-phenylphenyl)aniline
CID 168788660
3-[9-(2-naphthalen-2-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 164991388
benzenecarboximidoyl 4-[2-[2-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]benzenecarboximidate
CID 143952725

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-phenyl-N-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]benzenecarboximidoyl]benzenecarboximidamide?
The IUPAC name of 4-naphthalen-2-yl-N-phenyl-N-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]benzenecarboximidoyl]benzenecarboximidamide (CID 160592057) is 4-naphthalen-2-yl-N-phenyl-N-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]benzenecarboximidoyl]benzenecarboximidamide.
What is the SMILES notation for 4-naphthalen-2-yl-N-phenyl-N-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]benzenecarboximidoyl]benzenecarboximidamide?
The canonical SMILES for 4-naphthalen-2-yl-N-phenyl-N-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]benzenecarboximidoyl]benzenecarboximidamide is [H]/N=C(/c1ccc(-c2ccccc2-c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1)N(/C(=N/[H])c1ccc(-c2ccc3ccccc3c2)cc1)c1ccccc1.
What is the InChIKey of 4-naphthalen-2-yl-N-phenyl-N-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]benzenecarboximidoyl]benzenecarboximidamide?
The InChIKey is RDDRGJVQPXWVFM-MWNXQNFJSA-N. The full InChI is InChI=1S/C60H42N4/c61-59(44-32-27-42(28-33-44)47-36-29-41-15-7-8-16-46(41)39-47)64(50-19-5-2-6-20-50)60(62)45-34-30-43(31-35-45)51-21-9-11-23-53(51)54-24-12-10-22-52(54)48-37-38-58-56(40-48)55-25-13-14-26-57(55)63(58)49-17-3-1-4-18-49/h1-40,61-62H/b61-59+,62-60-.
What are the key properties of 4-naphthalen-2-yl-N-phenyl-N-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]benzenecarboximidoyl]benzenecarboximidamide?
4-naphthalen-2-yl-N-phenyl-N-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]benzenecarboximidoyl]benzenecarboximidamide has a molecular weight of 819.02 g/mol, XLogP of 15.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-N-phenyl-N-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]benzenecarboximidoyl]benzenecarboximidamide is sourced from PubChem (CID 160592057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).