N'-(benzenecarboximidoyl)benzenecarboximidamide;5-(9-methyldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole

C51H37N5O — CID 170785636

IUPACN'-(benzenecarboximidoyl)benzenecarboximidamide;5-(9-methyldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole
SMILESCc1cccc2oc3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)cc3c12.[H]/N=C(/N=C(\N)c1ccccc1)c1ccccc1
InChIInChI=1S/C37H24N2O.C14H13N3/c1-23-10-9-17-36-37(23)30-20-25(18-19-35(30)40-36)39-32-16-8-6-14-27(32)29-21-28-26-13-5-7-15-31(26)38(33(28)22-34(29)39)24-11-3-2-4-12-24;15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h2-22H,1H3;1-10H,(H3,15,16,17)
InChIKeyPFLSLEFWPCELEE-UHFFFAOYSA-N
MW735.89 g/mol
LogP12.51
Rot. Bonds4

About N'-(benzenecarboximidoyl)benzenecarboximidamide;5-(9-methyldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole

N'-(benzenecarboximidoyl)benzenecarboximidamide;5-(9-methyldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole (PubChem CID 170785636) has the molecular formula C51H37N5O and a molecular weight of 735.89 g/mol. Its IUPAC name is N'-(benzenecarboximidoyl)benzenecarboximidamide;5-(9-methyldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound NameN'-(benzenecarboximidoyl)benzenecarboximidamide;5-(9-methyldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole
PubChem CID170785636
Molecular FormulaC51H37N5O
Molecular Weight735.89 g/mol
Exact Mass735.30
IUPAC NameN'-(benzenecarboximidoyl)benzenecarboximidamide;5-(9-methyldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole
SMILESCc1cccc2oc3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)cc3c12.[H]/N=C(/N=C(\N)c1ccccc1)c1ccccc1
InChIInChI=1S/C37H24N2O.C14H13N3/c1-23-10-9-17-36-37(23)30-20-25(18-19-35(30)40-36)39-32-16-8-6-14-27(32)29-21-28-26-13-5-7-15-31(26)38(33(28)22-34(29)39)24-11-3-2-4-12-24;15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h2-22H,1H3;1-10H,(H3,15,16,17)
InChIKeyPFLSLEFWPCELEE-UHFFFAOYSA-N
XLogP12.51
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.89
LogP ≤ 512.51
H-Bond Donors ≤ 52
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

N'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 142451988
8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene
CID 156643264
15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 174349854
9-dibenzofuran-2-yl-4-methylcarbazole
CID 134235790
21-(9-phenylcarbazol-3-yl)-6,11-dioxa-21-azahexacyclo[14.4.1.05,20.07,19.010,18.012,17]henicosa-1(20),2,4,7(19),8,10(18),12,14,16-nonaene
CID 135130599
3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole
CID 176831663
3-[9-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)carbazol-3-yl]-9-phenylcarbazole
CID 163499661
N'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide
CID 145447845
N-[amino(phenyl)methylidene]-3-(14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(15),2,4,6,8,10,12,16(24),18,20,22,25-dodecaen-17-yl)benzenecarboximidamide
CID 144914923
10-(8-carbazol-9-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134516179
5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-7-phenylindolo[2,3-b]carbazole
CID 164707538
8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-(naphthalene-2-carboximidoyl)dibenzofuran-1-carboximidamide;toluene
CID 156643232

Frequently Asked Questions

What is the IUPAC name of N'-(benzenecarboximidoyl)benzenecarboximidamide;5-(9-methyldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of N'-(benzenecarboximidoyl)benzenecarboximidamide;5-(9-methyldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole (CID 170785636) is N'-(benzenecarboximidoyl)benzenecarboximidamide;5-(9-methyldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for N'-(benzenecarboximidoyl)benzenecarboximidamide;5-(9-methyldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for N'-(benzenecarboximidoyl)benzenecarboximidamide;5-(9-methyldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole is Cc1cccc2oc3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)cc3c12.[H]/N=C(/N=C(\N)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-(benzenecarboximidoyl)benzenecarboximidamide;5-(9-methyldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole?
The InChIKey is PFLSLEFWPCELEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2O.C14H13N3/c1-23-10-9-17-36-37(23)30-20-25(18-19-35(30)40-36)39-32-16-8-6-14-27(32)29-21-28-26-13-5-7-15-31(26)38(33(28)22-34(29)39)24-11-3-2-4-12-24;15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h2-22H,1H3;1-10H,(H3,15,16,17).
What are the key properties of N'-(benzenecarboximidoyl)benzenecarboximidamide;5-(9-methyldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole?
N'-(benzenecarboximidoyl)benzenecarboximidamide;5-(9-methyldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole has a molecular weight of 735.89 g/mol, XLogP of 12.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenecarboximidoyl)benzenecarboximidamide;5-(9-methyldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 170785636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).