9-(1-carbazol-9-yl-3-isocyano-6-phenyldibenzofuran-2-yl)carbazole

C43H25N3O — CID 155617266

IUPAC9-(1-carbazol-9-yl-3-isocyano-6-phenyldibenzofuran-2-yl)carbazole
SMILES[C-]#[N+]c1cc2oc3c(-c4ccccc4)cccc3c2c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C43H25N3O/c1-44-34-26-39-40(33-21-13-20-28(43(33)47-39)27-14-3-2-4-15-27)42(46-37-24-11-7-18-31(37)32-19-8-12-25-38(32)46)41(34)45-35-22-9-5-16-29(35)30-17-6-10-23-36(30)45/h2-26H
InChIKeyKSGRKCNDOIYSNF-UHFFFAOYSA-N
MW599.69 g/mol
LogP12.00
Rot. Bonds3

About 9-(1-carbazol-9-yl-3-isocyano-6-phenyldibenzofuran-2-yl)carbazole

9-(1-carbazol-9-yl-3-isocyano-6-phenyldibenzofuran-2-yl)carbazole (PubChem CID 155617266) has the molecular formula C43H25N3O and a molecular weight of 599.69 g/mol. Its IUPAC name is 9-(1-carbazol-9-yl-3-isocyano-6-phenyldibenzofuran-2-yl)carbazole.

Molecular Properties

Compound Name9-(1-carbazol-9-yl-3-isocyano-6-phenyldibenzofuran-2-yl)carbazole
PubChem CID155617266
Molecular FormulaC43H25N3O
Molecular Weight599.69 g/mol
Exact Mass599.20
IUPAC Name9-(1-carbazol-9-yl-3-isocyano-6-phenyldibenzofuran-2-yl)carbazole
SMILES[C-]#[N+]c1cc2oc3c(-c4ccccc4)cccc3c2c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C43H25N3O/c1-44-34-26-39-40(33-21-13-20-28(43(33)47-39)27-14-3-2-4-15-27)42(46-37-24-11-7-18-31(37)32-19-8-12-25-38(32)46)41(34)45-35-22-9-5-16-29(35)30-17-6-10-23-36(30)45/h2-26H
InChIKeyKSGRKCNDOIYSNF-UHFFFAOYSA-N
XLogP12.00
TPSA27.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.69
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

9-(2-carbazol-9-yl-1-isocyano-6-phenyldibenzofuran-3-yl)carbazole
CID 155617209
9-[3-(3,6-diphenylcarbazol-9-yl)-2-isocyano-6-phenyldibenzofuran-4-yl]-3,6-diphenylcarbazole
CID 155617223
9-[1,2-bis(3,6-ditert-butylcarbazol-9-yl)-3-isocyano-6-phenyldibenzofuran-4-yl]-3,6-ditert-butylcarbazole;3,6-ditert-butyl-9-[1-(3,6-ditert-butylcarbazol-9-yl)-3-isocyanodibenzofuran-2-yl]carbazole;3,6-ditert-butyl-9-[1-(3,6-ditert-butylcarbazol-9-yl)-3-isocyanodibenzofuran-4-yl]carbazole;3,6-ditert-butyl-9-[2-(3,6-ditert-butylcarbazol-9-yl)-3-isocyanodibenzofuran-4-yl]carbazole;3,6-ditert-butyl-9-[1-(3,6-ditert-butylcarbazol-9-yl)-3-isocyano-6-phenyldibenzofuran-4-yl]carbazole;3,6-ditert-butyl-9-[2-(3,6-ditert-butylcarbazol-9-yl)-3-isocyano-6-phenyldibenzofuran-4-yl]carbazole
CID 158924300
3,6-ditert-butyl-9-[1-(3,6-ditert-butylcarbazol-9-yl)-4-isocyano-6-phenyldibenzofuran-2-yl]carbazole
CID 155617319
9-[1-(3,6-diphenylcarbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isocyanodibenzofuran-4-yl]-3,6-diphenylcarbazole
CID 155617159
9-[2,3-di(carbazol-9-yl)-4-isocyano-6-(4-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 177117289
5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 140794299
9-[2-(4-dibenzofuran-2-ylphenyl)-6-isocyanophenyl]carbazole
CID 169076323
1,6-diphenyldibenzofuran
CID 145331756
9-[2-(3-dibenzofuran-2-ylphenyl)-6-isocyanophenyl]carbazole
CID 169076295
9-(8-dibenzofuran-4-yl-6-isocyanodibenzofuran-4-yl)-2-phenylcarbazole
CID 161319606
9-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl]carbazole
CID 146664768

Frequently Asked Questions

What is the IUPAC name of 9-(1-carbazol-9-yl-3-isocyano-6-phenyldibenzofuran-2-yl)carbazole?
The IUPAC name of 9-(1-carbazol-9-yl-3-isocyano-6-phenyldibenzofuran-2-yl)carbazole (CID 155617266) is 9-(1-carbazol-9-yl-3-isocyano-6-phenyldibenzofuran-2-yl)carbazole.
What is the SMILES notation for 9-(1-carbazol-9-yl-3-isocyano-6-phenyldibenzofuran-2-yl)carbazole?
The canonical SMILES for 9-(1-carbazol-9-yl-3-isocyano-6-phenyldibenzofuran-2-yl)carbazole is [C-]#[N+]c1cc2oc3c(-c4ccccc4)cccc3c2c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-(1-carbazol-9-yl-3-isocyano-6-phenyldibenzofuran-2-yl)carbazole?
The InChIKey is KSGRKCNDOIYSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3O/c1-44-34-26-39-40(33-21-13-20-28(43(33)47-39)27-14-3-2-4-15-27)42(46-37-24-11-7-18-31(37)32-19-8-12-25-38(32)46)41(34)45-35-22-9-5-16-29(35)30-17-6-10-23-36(30)45/h2-26H.
What are the key properties of 9-(1-carbazol-9-yl-3-isocyano-6-phenyldibenzofuran-2-yl)carbazole?
9-(1-carbazol-9-yl-3-isocyano-6-phenyldibenzofuran-2-yl)carbazole has a molecular weight of 599.69 g/mol, XLogP of 12.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-carbazol-9-yl-3-isocyano-6-phenyldibenzofuran-2-yl)carbazole is sourced from PubChem (CID 155617266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).