12-phenyl-3-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-a]carbazole

C44H27NO — CID 166832183

IUPAC12-phenyl-3-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)c3ccc5c6ccccc6oc5c3n4-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C44H27NO/c1-3-13-28(14-4-1)41-32-18-7-9-20-34(32)42(35-21-10-8-19-33(35)41)29-23-26-39-38(27-29)36-24-25-37-31-17-11-12-22-40(31)46-44(37)43(36)45(39)30-15-5-2-6-16-30/h1-27H
InChIKeyPZAMUEHIVQCNTL-UHFFFAOYSA-N
MW585.71 g/mol
LogP12.32
Rot. Bonds3

About 12-phenyl-3-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-a]carbazole

12-phenyl-3-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-a]carbazole (PubChem CID 166832183) has the molecular formula C44H27NO and a molecular weight of 585.71 g/mol. Its IUPAC name is 12-phenyl-3-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-phenyl-3-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-a]carbazole
PubChem CID166832183
Molecular FormulaC44H27NO
Molecular Weight585.71 g/mol
Exact Mass585.21
IUPAC Name12-phenyl-3-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)c3ccc5c6ccccc6oc5c3n4-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C44H27NO/c1-3-13-28(14-4-1)41-32-18-7-9-20-34(32)42(35-21-10-8-19-33(35)41)29-23-26-39-38(27-29)36-24-25-37-31-17-11-12-22-40(31)46-44(37)43(36)45(39)30-15-5-2-6-16-30/h1-27H
InChIKeyPZAMUEHIVQCNTL-UHFFFAOYSA-N
XLogP12.32
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 134223766
3-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 134223675
12-(4-dibenzofuran-4-ylphenyl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 90191500
12-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166509852
12-phenyl-3-[3-(6-phenylpyren-1-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 171575602
3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
CID 87156543
12-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 122548581
3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;12-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 160760258
15-(4-phenylphenyl)-12,18-dioxa-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 174350700
10-phenyl-8-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828306
12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510073
10-phenyl-8-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164827955

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-3-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-phenyl-3-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-a]carbazole (CID 166832183) is 12-phenyl-3-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-phenyl-3-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-phenyl-3-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)c3ccc5c6ccccc6oc5c3n4-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 12-phenyl-3-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-a]carbazole?
The InChIKey is PZAMUEHIVQCNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NO/c1-3-13-28(14-4-1)41-32-18-7-9-20-34(32)42(35-21-10-8-19-33(35)41)29-23-26-39-38(27-29)36-24-25-37-31-17-11-12-22-40(31)46-44(37)43(36)45(39)30-15-5-2-6-16-30/h1-27H.
What are the key properties of 12-phenyl-3-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-a]carbazole?
12-phenyl-3-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-a]carbazole has a molecular weight of 585.71 g/mol, XLogP of 12.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-3-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 166832183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).