2-[10-([1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole

C46H27NO2 — CID 176743582

IUPAC2-[10-([1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4c5ccccc5c(-c5coc6ccc7oc8ccccc8c7c56)c5ccccc45)cc32)cc1
InChIInChI=1S/C46H27NO2/c1-2-12-29(13-3-1)47-38-20-10-8-14-30(38)31-23-22-28(26-39(31)47)43-32-15-4-6-17-34(32)44(35-18-7-5-16-33(35)43)37-27-48-41-24-25-42-45(46(37)41)36-19-9-11-21-40(36)49-42/h1-27H
InChIKeyLPARGGDRLZRESX-UHFFFAOYSA-N
MW625.73 g/mol
LogP13.07
Rot. Bonds3

About 2-[10-([1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole

2-[10-([1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole (PubChem CID 176743582) has the molecular formula C46H27NO2 and a molecular weight of 625.73 g/mol. Its IUPAC name is 2-[10-([1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[10-([1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole
PubChem CID176743582
Molecular FormulaC46H27NO2
Molecular Weight625.73 g/mol
Exact Mass625.20
IUPAC Name2-[10-([1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4c5ccccc5c(-c5coc6ccc7oc8ccccc8c7c56)c5ccccc45)cc32)cc1
InChIInChI=1S/C46H27NO2/c1-2-12-29(13-3-1)47-38-20-10-8-14-30(38)31-23-22-28(26-39(31)47)43-32-15-4-6-17-34(32)44(35-18-7-5-16-33(35)43)37-27-48-41-24-25-42-45(46(37)41)36-19-9-11-21-40(36)49-42/h1-27H
InChIKeyLPARGGDRLZRESX-UHFFFAOYSA-N
XLogP13.07
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.73
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[10-([1]benzofuro[4,5-b][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176743446
2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole
CID 155454186
9-phenyl-3-[10-(2-phenyl-[1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]carbazole
CID 176744439
1-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran
CID 176744543
9-phenyl-2-[10-(3-phenyl-[1]benzofuro[6,5-b][1]benzofuran-7-yl)anthracen-9-yl]carbazole
CID 176744120
2-[10-([1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176745038
9-phenyl-3-[10-[8-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole
CID 158086462
1,3-bis(9-phenylcarbazol-2-yl)dibenzofuran-2-ol
CID 148926783
2-[2-[10-(9-naphthalen-2-yldibenzofuran-2-yl)anthracen-9-yl]phenyl]-9-phenylcarbazole
CID 155454157
2-[10-(2,3-diphenyl-[1]benzofuro[2,3-g][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176744039
14-phenyl-18-(9-phenylcarbazol-3-yl)-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 118298646
1-dibenzofuran-2-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;9-phenyl-2-[2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran-1-yl]carbazole
CID 167624935

Frequently Asked Questions

What is the IUPAC name of 2-[10-([1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole?
The IUPAC name of 2-[10-([1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole (CID 176743582) is 2-[10-([1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[10-([1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[10-([1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4c5ccccc5c(-c5coc6ccc7oc8ccccc8c7c56)c5ccccc45)cc32)cc1.
What is the InChIKey of 2-[10-([1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole?
The InChIKey is LPARGGDRLZRESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NO2/c1-2-12-29(13-3-1)47-38-20-10-8-14-30(38)31-23-22-28(26-39(31)47)43-32-15-4-6-17-34(32)44(35-18-7-5-16-33(35)43)37-27-48-41-24-25-42-45(46(37)41)36-19-9-11-21-40(36)49-42/h1-27H.
What are the key properties of 2-[10-([1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole?
2-[10-([1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole has a molecular weight of 625.73 g/mol, XLogP of 13.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-([1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 176743582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).