9-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[3,2-a]carbazole

C43H25N3O — CID 153462890

IUPAC9-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
SMILES[C-]#[N+]c1cccc(-n2c3ccccc3c3ccccc32)c1-c1ccc2c(c1)c1ccc3oc4ccccc4c3c1n2-c1ccccc1
InChIInChI=1S/C43H25N3O/c1-44-34-17-11-20-38(46-35-18-8-5-14-29(35)30-15-6-9-19-36(30)46)41(34)27-22-24-37-33(26-27)31-23-25-40-42(32-16-7-10-21-39(32)47-40)43(31)45(37)28-12-3-2-4-13-28/h2-26H
InChIKeyCSEAISSTHNZIQV-UHFFFAOYSA-N
MW599.69 g/mol
LogP12.00
Rot. Bonds3

About 9-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[3,2-a]carbazole

9-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[3,2-a]carbazole (PubChem CID 153462890) has the molecular formula C43H25N3O and a molecular weight of 599.69 g/mol. Its IUPAC name is 9-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name9-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
PubChem CID153462890
Molecular FormulaC43H25N3O
Molecular Weight599.69 g/mol
Exact Mass599.20
IUPAC Name9-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
SMILES[C-]#[N+]c1cccc(-n2c3ccccc3c3ccccc32)c1-c1ccc2c(c1)c1ccc3oc4ccccc4c3c1n2-c1ccccc1
InChIInChI=1S/C43H25N3O/c1-44-34-17-11-20-38(46-35-18-8-5-14-29(35)30-15-6-9-19-36(30)46)41(34)27-22-24-37-33(26-27)31-23-25-40-42(32-16-7-10-21-39(32)47-40)43(31)45(37)28-12-3-2-4-13-28/h2-26H
InChIKeyCSEAISSTHNZIQV-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

5-[4-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-6-isocyanophenyl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]carbazole
CID 140793941
9-[3-cyano-2-(12-phenyl-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile
CID 126582483
9-[3-isocyano-2-(18-isocyano-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)phenyl]carbazole
CID 153462869
12-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 140794053
3-[2-isocyano-6-(3-isocyanocarbazol-9-yl)phenyl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 167382188
12-phenyl-11-(3-phenylcarbazol-9-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 171591767
9-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 121343394
12-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-a]carbazole
CID 163673280
5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-2-(3-isocyanocarbazol-9-yl)benzonitrile
CID 140794217
3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 164821289
9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 90310026
14-[2-[2-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-6-isocyanophenyl]-18-methyl-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 140794270

Frequently Asked Questions

What is the IUPAC name of 9-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 9-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[3,2-a]carbazole (CID 153462890) is 9-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 9-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 9-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[3,2-a]carbazole is [C-]#[N+]c1cccc(-n2c3ccccc3c3ccccc32)c1-c1ccc2c(c1)c1ccc3oc4ccccc4c3c1n2-c1ccccc1.
What is the InChIKey of 9-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[3,2-a]carbazole?
The InChIKey is CSEAISSTHNZIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3O/c1-44-34-17-11-20-38(46-35-18-8-5-14-29(35)30-15-6-9-19-36(30)46)41(34)27-22-24-37-33(26-27)31-23-25-40-42(32-16-7-10-21-39(32)47-40)43(31)45(37)28-12-3-2-4-13-28/h2-26H.
What are the key properties of 9-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[3,2-a]carbazole?
9-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[3,2-a]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-6-isocyanophenyl)-12-phenyl-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 153462890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).