N'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole

C63H45N5O — CID 142451988

IUPACN'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
SMILESCc1cccc2oc3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccccc4)cc3c12.[H]/N=C(/N=C(\N)c1ccccc1)c1ccccc1
InChIInChI=1S/C49H32N2O.C14H13N3/c1-31-11-10-18-48-49(31)42-30-35(22-26-47(42)52-48)34-21-25-46-41(29-34)40-28-33(20-24-45(40)51(46)37-14-6-3-7-15-37)32-19-23-44-39(27-32)38-16-8-9-17-43(38)50(44)36-12-4-2-5-13-36;15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h2-30H,1H3;1-10H,(H3,15,16,17)
InChIKeyFPRBAMFJWVJIKU-UHFFFAOYSA-N
MW888.09 g/mol
LogP15.84
Rot. Bonds6

About N'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole

N'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 142451988) has the molecular formula C63H45N5O and a molecular weight of 888.09 g/mol. Its IUPAC name is N'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound NameN'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
PubChem CID142451988
Molecular FormulaC63H45N5O
Molecular Weight888.09 g/mol
Exact Mass887.36
IUPAC NameN'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
SMILESCc1cccc2oc3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccccc4)cc3c12.[H]/N=C(/N=C(\N)c1ccccc1)c1ccccc1
InChIInChI=1S/C49H32N2O.C14H13N3/c1-31-11-10-18-48-49(31)42-30-35(22-26-47(42)52-48)34-21-25-46-41(29-34)40-28-33(20-24-45(40)51(46)37-14-6-3-7-15-37)32-19-23-44-39(27-32)38-16-8-9-17-43(38)50(44)36-12-4-2-5-13-36;15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h2-30H,1H3;1-10H,(H3,15,16,17)
InChIKeyFPRBAMFJWVJIKU-UHFFFAOYSA-N
XLogP15.84
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.09
LogP ≤ 515.84
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;5-(9-methyldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 170785636
8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene
CID 156643264
3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 164821289
N'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide
CID 145447845
3-(9-methyldibenzofuran-2-yl)-9-phenylcarbazole;1-methyl-4-phenylbenzene;4'-methyl-9,9'-spirobi[fluorene]
CID 145360960
N'-(benzenecarboximidoyl)-3-[5-[9-(4-phenylphenyl)carbazol-2-yl]triphenylen-2-yl]benzenecarboximidamide
CID 145452787
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
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-(naphthalene-2-carboximidoyl)dibenzofuran-1-carboximidamide;toluene
CID 156643232
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
14-phenyl-18-(9-phenylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 118298646

Frequently Asked Questions

What is the IUPAC name of N'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of N'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole (CID 142451988) is N'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for N'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for N'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole is Cc1cccc2oc3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccccc4)cc3c12.[H]/N=C(/N=C(\N)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is FPRBAMFJWVJIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2O.C14H13N3/c1-31-11-10-18-48-49(31)42-30-35(22-26-47(42)52-48)34-21-25-46-41(29-34)40-28-33(20-24-45(40)51(46)37-14-6-3-7-15-37)32-19-23-44-39(27-32)38-16-8-9-17-43(38)50(44)36-12-4-2-5-13-36;15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h2-30H,1H3;1-10H,(H3,15,16,17).
What are the key properties of N'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?
N'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 888.09 g/mol, XLogP of 15.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 142451988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).