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

C42H26N2O — CID 134530399

IUPAC12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5c4oc4ccccc45)ccc32)cc1
InChIInChI=1S/C42H26N2O/c1-3-13-28(14-4-1)43-36-20-10-7-17-30(36)34-25-27(23-24-38(34)43)33-26-35-31-18-8-11-21-37(31)44(29-15-5-2-6-16-29)41(35)40-32-19-9-12-22-39(32)45-42(33)40/h1-26H
InChIKeyDKGAELGUWUBJSH-UHFFFAOYSA-N
MW574.68 g/mol
LogP11.45
Rot. Bonds3

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

12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole (PubChem CID 134530399) has the molecular formula C42H26N2O and a molecular weight of 574.68 g/mol. Its IUPAC name is 12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole
PubChem CID134530399
Molecular FormulaC42H26N2O
Molecular Weight574.68 g/mol
Exact Mass574.20
IUPAC Name12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5c4oc4ccccc45)ccc32)cc1
InChIInChI=1S/C42H26N2O/c1-3-13-28(14-4-1)43-36-20-10-7-17-30(36)34-25-27(23-24-38(34)43)33-26-35-31-18-8-11-21-37(31)44(29-15-5-2-6-16-29)41(35)40-32-19-9-12-22-39(32)45-42(33)40/h1-26H
InChIKeyDKGAELGUWUBJSH-UHFFFAOYSA-N
XLogP11.45
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole
CID 134530401
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 134530273
5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 134252605
9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole
CID 149165800
9-[4-(9-phenylcarbazol-3-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 118488580
5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 126656557
11,14-bis(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513515
27-(9-phenylcarbazol-3-yl)-9,18-dioxa-27-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene
CID 149129476
12-phenyl-6-[9-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole
CID 134530407
3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 118565404
3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11,12-diphenylindolo[2,3-a]carbazole
CID 118507599
9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole;5-(4-carbazol-9-ylphenyl)-12-phenylindolo[3,2-c]carbazole;9-dibenzofuran-4-yl-5,12-diphenylindolo[3,2-c]carbazole;5,12-diphenyl-9-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 162123659

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole (CID 134530399) is 12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5c4oc4ccccc45)ccc32)cc1.
What is the InChIKey of 12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole?
The InChIKey is DKGAELGUWUBJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2O/c1-3-13-28(14-4-1)43-36-20-10-7-17-30(36)34-25-27(23-24-38(34)43)33-26-35-31-18-8-11-21-37(31)44(29-15-5-2-6-16-29)41(35)40-32-19-9-12-22-39(32)45-42(33)40/h1-26H.
What are the key properties of 12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole?
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole has a molecular weight of 574.68 g/mol, XLogP of 11.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 134530399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).