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

C43H25N3O — CID 155617209

IUPAC9-(2-carbazol-9-yl-1-isocyano-6-phenyldibenzofuran-3-yl)carbazole
SMILES[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc2oc3c(-c4ccccc4)cccc3c12
InChIInChI=1S/C43H25N3O/c1-44-41-40-33-21-13-20-28(27-14-3-2-4-15-27)43(33)47-39(40)26-38(45-34-22-9-5-16-29(34)30-17-6-10-23-35(30)45)42(41)46-36-24-11-7-18-31(36)32-19-8-12-25-37(32)46/h2-26H
InChIKeyNBPVICSARCUROO-UHFFFAOYSA-N
MW599.69 g/mol
LogP12.00
Rot. Bonds3

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

9-(2-carbazol-9-yl-1-isocyano-6-phenyldibenzofuran-3-yl)carbazole (PubChem CID 155617209) has the molecular formula C43H25N3O and a molecular weight of 599.69 g/mol. Its IUPAC name is 9-(2-carbazol-9-yl-1-isocyano-6-phenyldibenzofuran-3-yl)carbazole.

Molecular Properties

Compound Name9-(2-carbazol-9-yl-1-isocyano-6-phenyldibenzofuran-3-yl)carbazole
PubChem CID155617209
Molecular FormulaC43H25N3O
Molecular Weight599.69 g/mol
Exact Mass599.20
IUPAC Name9-(2-carbazol-9-yl-1-isocyano-6-phenyldibenzofuran-3-yl)carbazole
SMILES[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc2oc3c(-c4ccccc4)cccc3c12
InChIInChI=1S/C43H25N3O/c1-44-41-40-33-21-13-20-28(27-14-3-2-4-15-27)43(33)47-39(40)26-38(45-34-22-9-5-16-29(34)30-17-6-10-23-35(30)45)42(41)46-36-24-11-7-18-31(36)32-19-8-12-25-37(32)46/h2-26H
InChIKeyNBPVICSARCUROO-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-(1-carbazol-9-yl-3-isocyano-6-phenyldibenzofuran-2-yl)carbazole
CID 155617266
3,6-ditert-butyl-9-[1-(3,6-ditert-butylcarbazol-9-yl)-4-isocyano-6-phenyldibenzofuran-2-yl]carbazole
CID 155617319
9-(9-dibenzofuran-4-yl-6-phenyldibenzofuran-4-yl)carbazole
CID 147826287
1,3-di(carbazol-9-yl)-6-phenyldibenzofuran-4-carbonitrile
CID 155131599
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
9-[1-(3,6-diphenylcarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-isocyanodibenzofuran-2-yl]-3,6-diphenylcarbazole
CID 155617359
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 139545258
1,6-diphenyldibenzofuran
CID 145331756
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139545181
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-4-yl-N-phenylaniline
CID 139544485
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 139545367
9-(16-carbazol-9-yl-6,17-diphenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-7-yl)carbazole
CID 59147563

Frequently Asked Questions

What is the IUPAC name of 9-(2-carbazol-9-yl-1-isocyano-6-phenyldibenzofuran-3-yl)carbazole?
The IUPAC name of 9-(2-carbazol-9-yl-1-isocyano-6-phenyldibenzofuran-3-yl)carbazole (CID 155617209) is 9-(2-carbazol-9-yl-1-isocyano-6-phenyldibenzofuran-3-yl)carbazole.
What is the SMILES notation for 9-(2-carbazol-9-yl-1-isocyano-6-phenyldibenzofuran-3-yl)carbazole?
The canonical SMILES for 9-(2-carbazol-9-yl-1-isocyano-6-phenyldibenzofuran-3-yl)carbazole is [C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc2oc3c(-c4ccccc4)cccc3c12.
What is the InChIKey of 9-(2-carbazol-9-yl-1-isocyano-6-phenyldibenzofuran-3-yl)carbazole?
The InChIKey is NBPVICSARCUROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3O/c1-44-41-40-33-21-13-20-28(27-14-3-2-4-15-27)43(33)47-39(40)26-38(45-34-22-9-5-16-29(34)30-17-6-10-23-35(30)45)42(41)46-36-24-11-7-18-31(36)32-19-8-12-25-37(32)46/h2-26H.
What are the key properties of 9-(2-carbazol-9-yl-1-isocyano-6-phenyldibenzofuran-3-yl)carbazole?
9-(2-carbazol-9-yl-1-isocyano-6-phenyldibenzofuran-3-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-(2-carbazol-9-yl-1-isocyano-6-phenyldibenzofuran-3-yl)carbazole is sourced from PubChem (CID 155617209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).