4-[10-(1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole

C56H33NO2 — CID 176745855

IUPAC4-[10-(1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4c5ccccc5c(-c5cc6oc7ccccc7c6c6c(-c7cccc8ccccc78)coc56)c5ccccc45)cccc32)cc1
InChIInChI=1S/C56H33NO2/c1-2-18-35(19-3-1)57-47-29-12-10-25-42(47)53-44(28-15-30-48(53)57)51-38-21-6-8-23-40(38)52(41-24-9-7-22-39(41)51)45-32-50-54(43-26-11-13-31-49(43)59-50)55-46(33-58-56(45)55)37-27-14-17-34-16-4-5-20-36(34)37/h1-33H
InChIKeyXVBJPUFQJJLIGM-UHFFFAOYSA-N
MW751.89 g/mol
LogP15.89
Rot. Bonds4

About 4-[10-(1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole

4-[10-(1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole (PubChem CID 176745855) has the molecular formula C56H33NO2 and a molecular weight of 751.89 g/mol. Its IUPAC name is 4-[10-(1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[10-(1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole
PubChem CID176745855
Molecular FormulaC56H33NO2
Molecular Weight751.89 g/mol
Exact Mass751.25
IUPAC Name4-[10-(1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4c5ccccc5c(-c5cc6oc7ccccc7c6c6c(-c7cccc8ccccc78)coc56)c5ccccc45)cccc32)cc1
InChIInChI=1S/C56H33NO2/c1-2-18-35(19-3-1)57-47-29-12-10-25-42(47)53-44(28-15-30-48(53)57)51-38-21-6-8-23-40(38)52(41-24-9-7-22-39(41)51)45-32-50-54(43-26-11-13-31-49(43)59-50)55-46(33-58-56(45)55)37-27-14-17-34-16-4-5-20-36(34)37/h1-33H
InChIKeyXVBJPUFQJJLIGM-UHFFFAOYSA-N
XLogP15.89
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.89
LogP ≤ 515.89
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

4-(10-dibenzofuran-2-ylanthracen-9-yl)-1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran
CID 176745582
9-phenyl-4-[1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazole
CID 153075401
9-phenyl-4-[10-(2-phenyl-[1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]carbazole
CID 176744301
2-[10-([1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176743582
21-naphthalen-1-yl-27-phenyl-27-azaheptacyclo[12.11.1.16,9.02,7.08,13.015,20.022,26]heptacosa-1(25),2(7),3,5,8(13),9,11,14(26),15,17,19,21,23-tridecaene
CID 170226043
4-(9-phenylcarbazol-4-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167200557
11-(10-dibenzofuran-1-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166897090
9-phenyl-4-[10-(1-phenyl-[1]benzofuro[4,5-b][1]benzofuran-9-yl)anthracen-9-yl]carbazole
CID 176744049
3-[10-[6-[4-[4-(10-dibenzofuran-2-ylanthracen-9-yl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]anthracen-9-yl]-9-phenylcarbazole
CID 170302335
12-[1-[4-dibenzofuran-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 164714646
4-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176744678
N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-4-yl)dibenzofuran-1-amine
CID 168847740

Frequently Asked Questions

What is the IUPAC name of 4-[10-(1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole?
The IUPAC name of 4-[10-(1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole (CID 176745855) is 4-[10-(1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-[10-(1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole?
The canonical SMILES for 4-[10-(1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3c(-c4c5ccccc5c(-c5cc6oc7ccccc7c6c6c(-c7cccc8ccccc78)coc56)c5ccccc45)cccc32)cc1.
What is the InChIKey of 4-[10-(1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole?
The InChIKey is XVBJPUFQJJLIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33NO2/c1-2-18-35(19-3-1)57-47-29-12-10-25-42(47)53-44(28-15-30-48(53)57)51-38-21-6-8-23-40(38)52(41-24-9-7-22-39(41)51)45-32-50-54(43-26-11-13-31-49(43)59-50)55-46(33-58-56(45)55)37-27-14-17-34-16-4-5-20-36(34)37/h1-33H.
What are the key properties of 4-[10-(1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole?
4-[10-(1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole has a molecular weight of 751.89 g/mol, XLogP of 15.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(1-naphthalen-1-yl-[1]benzofuro[3,2-e][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 176745855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).