2-(6-carbazol-9-yldibenzofuran-4-yl)-9-(2-isocyanophenyl)carbazole

C43H25N3O — CID 140760353

IUPAC2-(6-carbazol-9-yldibenzofuran-4-yl)-9-(2-isocyanophenyl)carbazole
SMILES[C-]#[N+]c1ccccc1-n1c2ccccc2c2ccc(-c3cccc4c3oc3c(-n5c6ccccc6c6ccccc65)cccc34)cc21
InChIInChI=1S/C43H25N3O/c1-44-35-18-5-9-22-39(35)46-38-21-8-4-14-31(38)32-25-24-27(26-41(32)46)28-15-10-16-33-34-17-11-23-40(43(34)47-42(28)33)45-36-19-6-2-12-29(36)30-13-3-7-20-37(30)45/h2-26H
InChIKeyTUFRIMUSTKQPKZ-UHFFFAOYSA-N
MW599.69 g/mol
LogP12.00
Rot. Bonds3

About 2-(6-carbazol-9-yldibenzofuran-4-yl)-9-(2-isocyanophenyl)carbazole

2-(6-carbazol-9-yldibenzofuran-4-yl)-9-(2-isocyanophenyl)carbazole (PubChem CID 140760353) has the molecular formula C43H25N3O and a molecular weight of 599.69 g/mol. Its IUPAC name is 2-(6-carbazol-9-yldibenzofuran-4-yl)-9-(2-isocyanophenyl)carbazole.

Molecular Properties

Compound Name2-(6-carbazol-9-yldibenzofuran-4-yl)-9-(2-isocyanophenyl)carbazole
PubChem CID140760353
Molecular FormulaC43H25N3O
Molecular Weight599.69 g/mol
Exact Mass599.20
IUPAC Name2-(6-carbazol-9-yldibenzofuran-4-yl)-9-(2-isocyanophenyl)carbazole
SMILES[C-]#[N+]c1ccccc1-n1c2ccccc2c2ccc(-c3cccc4c3oc3c(-n5c6ccccc6c6ccccc65)cccc34)cc21
InChIInChI=1S/C43H25N3O/c1-44-35-18-5-9-22-39(35)46-38-21-8-4-14-31(38)32-25-24-27(26-41(32)46)28-15-10-16-33-34-17-11-23-40(43(34)47-42(28)33)45-36-19-6-2-12-29(36)30-13-3-7-20-37(30)45/h2-26H
InChIKeyTUFRIMUSTKQPKZ-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-(8-dibenzofuran-4-yl-6-isocyanodibenzofuran-4-yl)-2-phenylcarbazole
CID 161319606
9-[18-(18-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-yl]carbazole
CID 67952828
9-(4-methylphenyl)-2-(6-phenyldibenzofuran-4-yl)carbazole
CID 118509061
9-(18-naphthalen-2-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-yl)carbazole
CID 59147236
9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]carbazole
CID 169011187
4-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole
CID 140760363
9-dibenzofuran-4-yl-3-(9-dibenzofuran-4-ylcarbazol-2-yl)-2-phenylcarbazole
CID 90348741
9-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 169010985
9-(8-dibenzothiophen-2-yl-6-isocyanodibenzofuran-4-yl)carbazole
CID 161065016
9-(7-dibenzofuran-4-yldibenzofuran-1-yl)carbazole
CID 170284005
9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)-2-phenylcarbazole
CID 148764046
3-isocyano-9-(2-isocyanophenyl)-6-[9-(4-isocyanophenyl)carbazol-1-yl]carbazole
CID 140759921

Frequently Asked Questions

What is the IUPAC name of 2-(6-carbazol-9-yldibenzofuran-4-yl)-9-(2-isocyanophenyl)carbazole?
The IUPAC name of 2-(6-carbazol-9-yldibenzofuran-4-yl)-9-(2-isocyanophenyl)carbazole (CID 140760353) is 2-(6-carbazol-9-yldibenzofuran-4-yl)-9-(2-isocyanophenyl)carbazole.
What is the SMILES notation for 2-(6-carbazol-9-yldibenzofuran-4-yl)-9-(2-isocyanophenyl)carbazole?
The canonical SMILES for 2-(6-carbazol-9-yldibenzofuran-4-yl)-9-(2-isocyanophenyl)carbazole is [C-]#[N+]c1ccccc1-n1c2ccccc2c2ccc(-c3cccc4c3oc3c(-n5c6ccccc6c6ccccc65)cccc34)cc21.
What is the InChIKey of 2-(6-carbazol-9-yldibenzofuran-4-yl)-9-(2-isocyanophenyl)carbazole?
The InChIKey is TUFRIMUSTKQPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3O/c1-44-35-18-5-9-22-39(35)46-38-21-8-4-14-31(38)32-25-24-27(26-41(32)46)28-15-10-16-33-34-17-11-23-40(43(34)47-42(28)33)45-36-19-6-2-12-29(36)30-13-3-7-20-37(30)45/h2-26H.
What are the key properties of 2-(6-carbazol-9-yldibenzofuran-4-yl)-9-(2-isocyanophenyl)carbazole?
2-(6-carbazol-9-yldibenzofuran-4-yl)-9-(2-isocyanophenyl)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 2-(6-carbazol-9-yldibenzofuran-4-yl)-9-(2-isocyanophenyl)carbazole is sourced from PubChem (CID 140760353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).