4-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole

C58H35NO2 — CID 176744678

IUPAC4-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole
SMILESc1ccc(-c2oc3ccc4oc5c(-c6c7ccccc7c(-c7cccc8c7c7ccccc7n8-c7ccccc7)c7ccccc67)cccc5c4c3c2-c2ccccc2)cc1
InChIInChI=1S/C58H35NO2/c1-4-18-36(19-5-1)51-56-50(60-57(51)37-20-6-2-7-21-37)35-34-49-55(56)46-31-16-30-45(58(46)61-49)53-41-26-12-10-24-39(41)52(40-25-11-13-27-42(40)53)44-29-17-33-48-54(44)43-28-14-15-32-47(43)59(48)38-22-8-3-9-23-38/h1-35H
InChIKeyNAFUYPBRKWNYRP-UHFFFAOYSA-N
MW777.92 g/mol
LogP16.40
Rot. Bonds5

About 4-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole

4-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole (PubChem CID 176744678) has the molecular formula C58H35NO2 and a molecular weight of 777.92 g/mol. Its IUPAC name is 4-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole
PubChem CID176744678
Molecular FormulaC58H35NO2
Molecular Weight777.92 g/mol
Exact Mass777.27
IUPAC Name4-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole
SMILESc1ccc(-c2oc3ccc4oc5c(-c6c7ccccc7c(-c7cccc8c7c7ccccc7n8-c7ccccc7)c7ccccc67)cccc5c4c3c2-c2ccccc2)cc1
InChIInChI=1S/C58H35NO2/c1-4-18-36(19-5-1)51-56-50(60-57(51)37-20-6-2-7-21-37)35-34-49-55(56)46-31-16-30-45(58(46)61-49)53-41-26-12-10-24-39(41)52(40-25-11-13-27-42(40)53)44-29-17-33-48-54(44)43-28-14-15-32-47(43)59(48)38-22-8-3-9-23-38/h1-35H
InChIKeyNAFUYPBRKWNYRP-UHFFFAOYSA-N
XLogP16.40
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.92
LogP ≤ 516.40
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

9-phenyl-4-[10-(1-phenyl-[1]benzofuro[4,5-b][1]benzofuran-9-yl)anthracen-9-yl]carbazole
CID 176744049
9-phenyl-4-[10-(2-phenyl-[1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]carbazole
CID 176744301
6-phenyl-4-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b]indole
CID 166872684
15,22-diphenyl-16-oxa-22-azahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,14,17(21),18-decaene
CID 139337051
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
9-phenyl-4-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole
CID 159906088
3-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-5-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176745675
9-phenyl-4-[3-(4-phenylphenyl)-2-benzofuran-1-yl]carbazole
CID 156552674
10-phenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828014
4-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;9-phenyl-4-[2-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-phenyl-4-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 165044312
9-phenyl-4-[10-[8-(10-phenylanthracen-9-yl)-7,8-dihydrodibenzofuran-4-yl]anthracen-9-yl]carbazole
CID 166689908
3-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 176745247

Frequently Asked Questions

What is the IUPAC name of 4-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole?
The IUPAC name of 4-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole (CID 176744678) is 4-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole?
The canonical SMILES for 4-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole is c1ccc(-c2oc3ccc4oc5c(-c6c7ccccc7c(-c7cccc8c7c7ccccc7n8-c7ccccc7)c7ccccc67)cccc5c4c3c2-c2ccccc2)cc1.
What is the InChIKey of 4-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole?
The InChIKey is NAFUYPBRKWNYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35NO2/c1-4-18-36(19-5-1)51-56-50(60-57(51)37-20-6-2-7-21-37)35-34-49-55(56)46-31-16-30-45(58(46)61-49)53-41-26-12-10-24-39(41)52(40-25-11-13-27-42(40)53)44-29-17-33-48-54(44)43-28-14-15-32-47(43)59(48)38-22-8-3-9-23-38/h1-35H.
What are the key properties of 4-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole?
4-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole has a molecular weight of 777.92 g/mol, XLogP of 16.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 176744678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).