3-[10-([1]benzofuro[7,6-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole

C46H27NO2 — CID 176744622

IUPAC3-[10-([1]benzofuro[7,6-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6oc7c(ccc8ccoc87)c6c5)c5ccccc45)ccc32)cc1
InChIInChI=1S/C46H27NO2/c1-2-10-31(11-3-1)47-40-17-9-8-12-32(40)38-26-29(19-22-41(38)47)43-33-13-4-6-15-35(33)44(36-16-7-5-14-34(36)43)30-20-23-42-39(27-30)37-21-18-28-24-25-48-45(28)46(37)49-42/h1-27H
InChIKeyJMMXZNORBJCNOZ-UHFFFAOYSA-N
MW625.73 g/mol
LogP13.07
Rot. Bonds3

About 3-[10-([1]benzofuro[7,6-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole

3-[10-([1]benzofuro[7,6-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole (PubChem CID 176744622) has the molecular formula C46H27NO2 and a molecular weight of 625.73 g/mol. Its IUPAC name is 3-[10-([1]benzofuro[7,6-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[10-([1]benzofuro[7,6-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole
PubChem CID176744622
Molecular FormulaC46H27NO2
Molecular Weight625.73 g/mol
Exact Mass625.20
IUPAC Name3-[10-([1]benzofuro[7,6-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6oc7c(ccc8ccoc87)c6c5)c5ccccc45)ccc32)cc1
InChIInChI=1S/C46H27NO2/c1-2-10-31(11-3-1)47-40-17-9-8-12-32(40)38-26-29(19-22-41(38)47)43-33-13-4-6-15-35(33)44(36-16-7-5-14-34(36)43)30-20-23-42-39(27-30)37-21-18-28-24-25-48-45(28)46(37)49-42/h1-27H
InChIKeyJMMXZNORBJCNOZ-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

9-phenyl-3-[10-(3-phenyl-[1]benzofuro[7,6-b][1]benzofuran-7-yl)anthracen-9-yl]carbazole
CID 176744389
2-[10-([1]benzofuro[4,5-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176745473
3-[10-([1]benzofuro[3,2-g][1]benzofuran-5-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176746053
6,17-bis(8-phenyldibenzofuran-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;9-[3-[17-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]carbazole;3-[17-(6,9-diphenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]-6,9-diphenylcarbazole;3,9-diphenyl-6-(17-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl)carbazole;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole
CID 158073977
3-[10-([1]benzofuro[4,5-b][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176745672
9-phenyl-3-[10-(3-phenyl-[1]benzofuro[7,6-b][1]benzofuran-8-yl)anthracen-9-yl]carbazole
CID 176743530
3-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-16-yl)anthracen-9-yl]-9-phenylcarbazole
CID 155008109
2-[10-([1]benzofuro[7,6-b][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176744299
7-(10-dibenzothiophen-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran
CID 176745382
2-[10-([1]benzofuro[5,6-b][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176744002
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
9-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]carbazole;3-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]-9-phenylcarbazole
CID 161064715

Frequently Asked Questions

What is the IUPAC name of 3-[10-([1]benzofuro[7,6-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole?
The IUPAC name of 3-[10-([1]benzofuro[7,6-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole (CID 176744622) is 3-[10-([1]benzofuro[7,6-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[10-([1]benzofuro[7,6-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[10-([1]benzofuro[7,6-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6oc7c(ccc8ccoc87)c6c5)c5ccccc45)ccc32)cc1.
What is the InChIKey of 3-[10-([1]benzofuro[7,6-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole?
The InChIKey is JMMXZNORBJCNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NO2/c1-2-10-31(11-3-1)47-40-17-9-8-12-32(40)38-26-29(19-22-41(38)47)43-33-13-4-6-15-35(33)44(36-16-7-5-14-34(36)43)30-20-23-42-39(27-30)37-21-18-28-24-25-48-45(28)46(37)49-42/h1-27H.
What are the key properties of 3-[10-([1]benzofuro[7,6-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole?
3-[10-([1]benzofuro[7,6-b][1]benzofuran-7-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 3-[10-([1]benzofuro[7,6-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 176744622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).