11-[2-(5-carbazol-9-ylcyclohexa-1,5-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole

C42H28N2O — CID 126695708

IUPAC11-[2-(5-carbazol-9-ylcyclohexa-1,5-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESC1=C(c2ccccc2-n2c3ccccc3c3cc4oc5ccccc5c4cc32)C=C(n2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C42H28N2O/c1-6-19-36(44-39-22-9-4-17-32(39)34-26-42-35(25-40(34)44)33-18-5-10-23-41(33)45-42)29(14-1)27-12-11-13-28(24-27)43-37-20-7-2-15-30(37)31-16-3-8-21-38(31)43/h1-10,12,14-26H,11,13H2
InChIKeyPBUZYVGLPHNWPH-UHFFFAOYSA-N
MW576.70 g/mol
LogP11.51
Rot. Bonds3

About 11-[2-(5-carbazol-9-ylcyclohexa-1,5-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole

11-[2-(5-carbazol-9-ylcyclohexa-1,5-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 126695708) has the molecular formula C42H28N2O and a molecular weight of 576.70 g/mol. Its IUPAC name is 11-[2-(5-carbazol-9-ylcyclohexa-1,5-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-[2-(5-carbazol-9-ylcyclohexa-1,5-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
PubChem CID126695708
Molecular FormulaC42H28N2O
Molecular Weight576.70 g/mol
Exact Mass576.22
IUPAC Name11-[2-(5-carbazol-9-ylcyclohexa-1,5-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESC1=C(c2ccccc2-n2c3ccccc3c3cc4oc5ccccc5c4cc32)C=C(n2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C42H28N2O/c1-6-19-36(44-39-22-9-4-17-32(39)34-26-42-35(25-40(34)44)33-18-5-10-23-41(33)45-42)29(14-1)27-12-11-13-28(24-27)43-37-20-7-2-15-30(37)31-16-3-8-21-38(31)43/h1-10,12,14-26H,11,13H2
InChIKeyPBUZYVGLPHNWPH-UHFFFAOYSA-N
XLogP11.51
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 511.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-[2-(5-carbazol-9-ylcyclohexa-1,5-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole with MolForge

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Related Compounds

2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 129291049
4-([1]benzofuro[3,2-b]carbazol-11-yl)-3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-cyanophenyl]benzonitrile
CID 129300231
11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
3-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 126753408
11-(1,3-benzoxazol-4-yl)-[1]benzofuro[3,2-b]carbazole
CID 118488526
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzofuro[3,2-b]carbazole
CID 163515985
7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 164955673
9-(9-dibenzofuran-2-yldibenzofuran-1-yl)carbazole
CID 170276500
11-[2-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 164932870
3-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-cyanophenyl]-4-carbazol-9-ylbenzonitrile
CID 129300202
11-[2-(2-carbazol-9-yl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 126695598
4-([1]benzofuro[3,2-b]carbazol-11-yl)aniline
CID 175536388

Frequently Asked Questions

What is the IUPAC name of 11-[2-(5-carbazol-9-ylcyclohexa-1,5-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-[2-(5-carbazol-9-ylcyclohexa-1,5-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole (CID 126695708) is 11-[2-(5-carbazol-9-ylcyclohexa-1,5-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-[2-(5-carbazol-9-ylcyclohexa-1,5-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-[2-(5-carbazol-9-ylcyclohexa-1,5-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole is C1=C(c2ccccc2-n2c3ccccc3c3cc4oc5ccccc5c4cc32)C=C(n2c3ccccc3c3ccccc32)CC1.
What is the InChIKey of 11-[2-(5-carbazol-9-ylcyclohexa-1,5-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is PBUZYVGLPHNWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2O/c1-6-19-36(44-39-22-9-4-17-32(39)34-26-42-35(25-40(34)44)33-18-5-10-23-41(33)45-42)29(14-1)27-12-11-13-28(24-27)43-37-20-7-2-15-30(37)31-16-3-8-21-38(31)43/h1-10,12,14-26H,11,13H2.
What are the key properties of 11-[2-(5-carbazol-9-ylcyclohexa-1,5-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
11-[2-(5-carbazol-9-ylcyclohexa-1,5-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 576.70 g/mol, XLogP of 11.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-(5-carbazol-9-ylcyclohexa-1,5-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 126695708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).