N'-(benzenecarboximidoyl)-3-phenyl-N-[[6'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]methylidene]benzenecarboximidamide

C60H41N5 — CID 166751347

IUPACN'-(benzenecarboximidoyl)-3-phenyl-N-[[6'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]methylidene]benzenecarboximidamide
SMILES[H]/N=C(/N=C(/N=C/n1c2c(c3cccc(N(c4ccccc4)c4ccccc4)c31)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1cccc(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C60H41N5/c61-58(42-23-7-2-8-24-42)63-59(44-26-19-25-43(39-44)41-21-5-1-6-22-41)62-40-64-56-50(34-20-38-54(56)65(45-27-9-3-10-28-45)46-29-11-4-12-30-46)55-57(64)49-33-15-18-37-53(49)60(55)51-35-16-13-31-47(51)48-32-14-17-36-52(48)60/h1-40,61H/b61-58+,62-40+,63-59+
InChIKeyAQWOCTUAVVMXGY-LKAHVXATSA-N
MW832.02 g/mol
LogP14.47
Rot. Bonds7

About N'-(benzenecarboximidoyl)-3-phenyl-N-[[6'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]methylidene]benzenecarboximidamide

N'-(benzenecarboximidoyl)-3-phenyl-N-[[6'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]methylidene]benzenecarboximidamide (PubChem CID 166751347) has the molecular formula C60H41N5 and a molecular weight of 832.02 g/mol. Its IUPAC name is N'-(benzenecarboximidoyl)-3-phenyl-N-[[6'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]methylidene]benzenecarboximidamide.

Molecular Properties

Compound NameN'-(benzenecarboximidoyl)-3-phenyl-N-[[6'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]methylidene]benzenecarboximidamide
PubChem CID166751347
Molecular FormulaC60H41N5
Molecular Weight832.02 g/mol
Exact Mass831.34
IUPAC NameN'-(benzenecarboximidoyl)-3-phenyl-N-[[6'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]methylidene]benzenecarboximidamide
SMILES[H]/N=C(/N=C(/N=C/n1c2c(c3cccc(N(c4ccccc4)c4ccccc4)c31)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1cccc(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C60H41N5/c61-58(42-23-7-2-8-24-42)63-59(44-26-19-25-43(39-44)41-21-5-1-6-22-41)62-40-64-56-50(34-20-38-54(56)65(45-27-9-3-10-28-45)46-29-11-4-12-30-46)55-57(64)49-33-15-18-37-53(49)60(55)51-35-16-13-31-47(51)48-32-14-17-36-52(48)60/h1-40,61H/b61-58+,62-40+,63-59+
InChIKeyAQWOCTUAVVMXGY-LKAHVXATSA-N
XLogP14.47
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.02
LogP ≤ 514.47
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

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CID 169044305
N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308420
CID 134451141
CID 134451141
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-amine
CID 134528163
N-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine
CID 135167298
N-phenyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-1'-amine
CID 135293653
CID 134272876
CID 134272876
N-phenyl-N-[3-phenyl-2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 167293277
N'-(benzenecarboximidoyl)-N-benzylidene-12,12,13,13-tetramethylnaphtho[1,2-b]phenanthrene-2-carboximidamide
CID 163720978
N,2-diphenyl-N-[4-[4'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]aniline
CID 140915383
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-[(2E,4E)-5-naphthalen-1-ylhepta-2,4,6-trien-2-yl]phenyl]-2-(4-phenylphenyl)aniline
CID 170108664
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CID 167177854

Frequently Asked Questions

What is the IUPAC name of N'-(benzenecarboximidoyl)-3-phenyl-N-[[6'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]methylidene]benzenecarboximidamide?
The IUPAC name of N'-(benzenecarboximidoyl)-3-phenyl-N-[[6'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]methylidene]benzenecarboximidamide (CID 166751347) is N'-(benzenecarboximidoyl)-3-phenyl-N-[[6'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]methylidene]benzenecarboximidamide.
What is the SMILES notation for N'-(benzenecarboximidoyl)-3-phenyl-N-[[6'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]methylidene]benzenecarboximidamide?
The canonical SMILES for N'-(benzenecarboximidoyl)-3-phenyl-N-[[6'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]methylidene]benzenecarboximidamide is [H]/N=C(/N=C(/N=C/n1c2c(c3cccc(N(c4ccccc4)c4ccccc4)c31)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1cccc(-c2ccccc2)c1)c1ccccc1.
What is the InChIKey of N'-(benzenecarboximidoyl)-3-phenyl-N-[[6'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]methylidene]benzenecarboximidamide?
The InChIKey is AQWOCTUAVVMXGY-LKAHVXATSA-N. The full InChI is InChI=1S/C60H41N5/c61-58(42-23-7-2-8-24-42)63-59(44-26-19-25-43(39-44)41-21-5-1-6-22-41)62-40-64-56-50(34-20-38-54(56)65(45-27-9-3-10-28-45)46-29-11-4-12-30-46)55-57(64)49-33-15-18-37-53(49)60(55)51-35-16-13-31-47(51)48-32-14-17-36-52(48)60/h1-40,61H/b61-58+,62-40+,63-59+.
What are the key properties of N'-(benzenecarboximidoyl)-3-phenyl-N-[[6'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]methylidene]benzenecarboximidamide?
N'-(benzenecarboximidoyl)-3-phenyl-N-[[6'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]methylidene]benzenecarboximidamide has a molecular weight of 832.02 g/mol, XLogP of 14.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenecarboximidoyl)-3-phenyl-N-[[6'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]methylidene]benzenecarboximidamide is sourced from PubChem (CID 166751347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).