5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole

C42H26N2O — CID 126652572

IUPAC5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1cc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1
InChIInChI=1S/C42H26N2O/c1-6-19-35(44-36-20-7-2-15-30(36)31-16-3-8-21-37(31)44)29(14-1)27-12-11-13-28(26-27)43-38-22-9-4-18-34(38)41-39(43)25-24-33-32-17-5-10-23-40(32)45-42(33)41/h1-26H
InChIKeyVXTCGHMZBSEQQZ-UHFFFAOYSA-N
MW574.68 g/mol
LogP11.45
Rot. Bonds3

About 5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole

5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 126652572) has the molecular formula C42H26N2O and a molecular weight of 574.68 g/mol. Its IUPAC name is 5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID126652572
Molecular FormulaC42H26N2O
Molecular Weight574.68 g/mol
Exact Mass574.20
IUPAC Name5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1cc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1
InChIInChI=1S/C42H26N2O/c1-6-19-35(44-36-20-7-2-15-30(36)31-16-3-8-21-37(31)44)29(14-1)27-12-11-13-28(26-27)43-38-22-9-4-18-34(38)41-39(43)25-24-33-32-17-5-10-23-40(32)45-42(33)41/h1-26H
InChIKeyVXTCGHMZBSEQQZ-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

5-[3-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146226727
5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 140794299
15-dibenzofuran-4-yl-24-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-(3-dibenzofuran-4-ylphenyl)-24-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-(4-dibenzofuran-4-ylphenyl)-24-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 160912850
6-(3-dibenzofuran-4-ylphenyl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;prop-1-ene
CID 144604324
5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 160969455
5-[3-[2-[4-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146227294
9-[3-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]carbazole
CID 165071579
5-(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 90225205
buta-1,3-diene;6-(9-dibenzofuran-4-ylcarbazol-3-yl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 144670218
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 142347126
3-dibenzofuran-4-yl-9-(2-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 177209647

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole (CID 126652572) is 5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole is c1cc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.
What is the InChIKey of 5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is VXTCGHMZBSEQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2O/c1-6-19-35(44-36-20-7-2-15-30(36)31-16-3-8-21-37(31)44)29(14-1)27-12-11-13-28(26-27)43-38-22-9-4-18-34(38)41-39(43)25-24-33-32-17-5-10-23-40(32)45-42(33)41/h1-26H.
What are the key properties of 5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole?
5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]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 5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 126652572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).