3-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole

C60H37NO2 — CID 88573967

IUPAC3-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
SMILESC1=Cc2c(oc3c(-c4ccc5c(c4)c4cc(-c6cccc7c6oc6ccccc67)ccc4n5-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cccc23)CC1
InChIInChI=1S/C60H37NO2/c1-2-16-45-43(14-1)44-15-3-4-17-46(44)52-33-37(26-29-47(45)52)36-12-9-13-40(32-36)61-55-30-27-38(41-20-10-22-50-48-18-5-7-24-57(48)62-59(41)50)34-53(55)54-35-39(28-31-56(54)61)42-21-11-23-51-49-19-6-8-25-58(49)63-60(42)51/h1-7,9-24,26-35H,8,25H2
InChIKeyZPGVEFGUZTYREV-UHFFFAOYSA-N
MW803.96 g/mol
LogP16.85
Rot. Bonds4

About 3-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole

3-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole (PubChem CID 88573967) has the molecular formula C60H37NO2 and a molecular weight of 803.96 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
PubChem CID88573967
Molecular FormulaC60H37NO2
Molecular Weight803.96 g/mol
Exact Mass803.28
IUPAC Name3-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
SMILESC1=Cc2c(oc3c(-c4ccc5c(c4)c4cc(-c6cccc7c6oc6ccccc67)ccc4n5-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cccc23)CC1
InChIInChI=1S/C60H37NO2/c1-2-16-45-43(14-1)44-15-3-4-17-46(44)52-33-37(26-29-47(45)52)36-12-9-13-40(32-36)61-55-30-27-38(41-20-10-22-50-48-18-5-7-24-57(48)62-59(41)50)34-53(55)54-35-39(28-31-56(54)61)42-21-11-23-51-49-19-6-8-25-58(49)63-60(42)51/h1-7,9-24,26-35H,8,25H2
InChIKeyZPGVEFGUZTYREV-UHFFFAOYSA-N
XLogP16.85
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.96
LogP ≤ 516.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-dibenzofuran-4-yl-9-(3-triphenylen-2-ylphenyl)carbazole
CID 87156606
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
CID 87156543
3,6-bis(6-phenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
CID 87156828
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
7-[3-dibenzofuran-4-yl-5-(3,5-diphenylphenyl)phenyl]-3,4-dihydro-[1]benzofuro[2,3-b]carbazole
CID 142380457
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 155305912
9-(6,7-dihydrodibenzofuran-2-yl)-3-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole
CID 144541028
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121591
2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 166509994

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole?
The IUPAC name of 3-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole (CID 88573967) is 3-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole.
What is the SMILES notation for 3-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole?
The canonical SMILES for 3-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole is C1=Cc2c(oc3c(-c4ccc5c(c4)c4cc(-c6cccc7c6oc6ccccc67)ccc4n5-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cccc23)CC1.
What is the InChIKey of 3-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole?
The InChIKey is ZPGVEFGUZTYREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37NO2/c1-2-16-45-43(14-1)44-15-3-4-17-46(44)52-33-37(26-29-47(45)52)36-12-9-13-40(32-36)61-55-30-27-38(41-20-10-22-50-48-18-5-7-24-57(48)62-59(41)50)34-53(55)54-35-39(28-31-56(54)61)42-21-11-23-51-49-19-6-8-25-58(49)63-60(42)51/h1-7,9-24,26-35H,8,25H2.
What are the key properties of 3-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole?
3-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole has a molecular weight of 803.96 g/mol, XLogP of 16.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole is sourced from PubChem (CID 88573967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).