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

C46H27NO2 — CID 176745038

IUPAC2-[10-([1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4c5ccccc5c(-c5cc6ccc7oc8ccccc8c7c6o5)c5ccccc45)cc32)cc1
InChIInChI=1S/C46H27NO2/c1-2-12-30(13-3-1)47-38-20-10-8-14-31(38)32-24-22-28(26-39(32)47)43-33-15-4-6-17-35(33)44(36-18-7-5-16-34(36)43)42-27-29-23-25-41-45(46(29)49-42)37-19-9-11-21-40(37)48-41/h1-27H
InChIKeyDWKRWKBQZNUUKB-UHFFFAOYSA-N
MW625.73 g/mol
LogP13.07
Rot. Bonds3

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

2-[10-([1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]-9-phenylcarbazole (PubChem CID 176745038) has the molecular formula C46H27NO2 and a molecular weight of 625.73 g/mol. Its IUPAC name is 2-[10-([1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[10-([1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]-9-phenylcarbazole
PubChem CID176745038
Molecular FormulaC46H27NO2
Molecular Weight625.73 g/mol
Exact Mass625.20
IUPAC Name2-[10-([1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4c5ccccc5c(-c5cc6ccc7oc8ccccc8c7c6o5)c5ccccc45)cc32)cc1
InChIInChI=1S/C46H27NO2/c1-2-12-30(13-3-1)47-38-20-10-8-14-31(38)32-24-22-28(26-39(32)47)43-33-15-4-6-17-35(33)44(36-18-7-5-16-34(36)43)42-27-29-23-25-41-45(46(29)49-42)37-19-9-11-21-40(37)48-41/h1-27H
InChIKeyDWKRWKBQZNUUKB-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-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
CID 176743230
9-phenyl-3-[10-(2-phenyl-[1]benzofuro[6,7-b][1]benzofuran-5-yl)anthracen-9-yl]carbazole
CID 176745637
2-[10-([1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176743582
2-[10-(2,3-diphenyl-[1]benzofuro[2,3-g][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176744039
9-phenyl-3-[10-(3-phenyl-[1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]carbazole
CID 176745422
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
2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole
CID 155454186
2-[2-[10-(9-naphthalen-2-yldibenzofuran-2-yl)anthracen-9-yl]phenyl]-9-phenylcarbazole
CID 155454157
16-[4-(3,5-diphenylphenyl)phenyl]-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene
CID 122465837
2-[10-([1]benzofuro[4,5-b][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176743446
3-[9-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)carbazol-3-yl]-9-phenylcarbazole
CID 135171680
1,3-bis(9-phenylcarbazol-2-yl)dibenzofuran-2-ol
CID 148926783

Frequently Asked Questions

What is the IUPAC name of 2-[10-([1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]-9-phenylcarbazole?
The IUPAC name of 2-[10-([1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]-9-phenylcarbazole (CID 176745038) is 2-[10-([1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[10-([1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[10-([1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4c5ccccc5c(-c5cc6ccc7oc8ccccc8c7c6o5)c5ccccc45)cc32)cc1.
What is the InChIKey of 2-[10-([1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]-9-phenylcarbazole?
The InChIKey is DWKRWKBQZNUUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NO2/c1-2-12-30(13-3-1)47-38-20-10-8-14-31(38)32-24-22-28(26-39(32)47)43-33-15-4-6-17-35(33)44(36-18-7-5-16-34(36)43)42-27-29-23-25-41-45(46(29)49-42)37-19-9-11-21-40(37)48-41/h1-27H.
What are the key properties of 2-[10-([1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]-9-phenylcarbazole?
2-[10-([1]benzofuro[2,3-g][1]benzofuran-2-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[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 176745038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).