2-(3,4-dihydrodibenzofuran-2-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;ethane

C50H37NO — CID 144907467

IUPAC2-(3,4-dihydrodibenzofuran-2-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;ethane
SMILESC1=C(c2ccc3c4ccccc4n(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3c2)CCc2oc3ccccc3c21.CC
InChIInChI=1S/C48H31NO.C2H6/c1-2-14-37-35(12-1)36-13-3-4-15-38(36)43-27-31(20-23-39(37)43)30-10-9-11-34(26-30)49-45-18-7-5-16-40(45)41-24-21-33(29-46(41)49)32-22-25-48-44(28-32)42-17-6-8-19-47(42)50-48;1-2/h1-21,23-24,26-29H,22,25H2;1-2H3
InChIKeyAVHHMUOUMOOZGG-UHFFFAOYSA-N
MW667.85 g/mol
LogP14.17
Rot. Bonds3

About 2-(3,4-dihydrodibenzofuran-2-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;ethane

2-(3,4-dihydrodibenzofuran-2-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;ethane (PubChem CID 144907467) has the molecular formula C50H37NO and a molecular weight of 667.85 g/mol. Its IUPAC name is 2-(3,4-dihydrodibenzofuran-2-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;ethane.

Molecular Properties

Compound Name2-(3,4-dihydrodibenzofuran-2-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;ethane
PubChem CID144907467
Molecular FormulaC50H37NO
Molecular Weight667.85 g/mol
Exact Mass667.29
IUPAC Name2-(3,4-dihydrodibenzofuran-2-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;ethane
SMILESC1=C(c2ccc3c4ccccc4n(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3c2)CCc2oc3ccccc3c21.CC
InChIInChI=1S/C48H31NO.C2H6/c1-2-14-37-35(12-1)36-13-3-4-15-38(36)43-27-31(20-23-39(37)43)30-10-9-11-34(26-30)49-45-18-7-5-16-40(45)41-24-21-33(29-46(41)49)32-22-25-48-44(28-32)42-17-6-8-19-47(42)50-48;1-2/h1-21,23-24,26-29H,22,25H2;1-2H3
InChIKeyAVHHMUOUMOOZGG-UHFFFAOYSA-N
XLogP14.17
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.85
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3,4-dihydrodibenzofuran-2-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 142352795
9-[8-[4-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]-6,7-dihydrodibenzofuran-2-yl]carbazole
CID 149288215
9-(3-triphenylen-2-ylphenyl)carbazole
CID 88924379
2-dibenzofuran-4-yl-9-(3-triphenylen-2-ylphenyl)carbazole
CID 87156606
9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-2,6-diphenylcarbazole
CID 166927950
9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole
CID 163966480
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165386227
9-[3-(7-phenyltriphenylen-2-yl)phenyl]carbazole
CID 174278174
9-[3-[3-[3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 90265507
3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole
CID 160984322
2-[2-ethenyl-3-[(Z)-prop-1-enyl]-6,7-dihydro-1-benzothiophen-5-yl]-9-(3-triphenylen-2-ylphenyl)carbazole
CID 144907163
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydrodibenzofuran-2-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;ethane?
The IUPAC name of 2-(3,4-dihydrodibenzofuran-2-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;ethane (CID 144907467) is 2-(3,4-dihydrodibenzofuran-2-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;ethane.
What is the SMILES notation for 2-(3,4-dihydrodibenzofuran-2-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;ethane?
The canonical SMILES for 2-(3,4-dihydrodibenzofuran-2-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;ethane is C1=C(c2ccc3c4ccccc4n(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3c2)CCc2oc3ccccc3c21.CC.
What is the InChIKey of 2-(3,4-dihydrodibenzofuran-2-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;ethane?
The InChIKey is AVHHMUOUMOOZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO.C2H6/c1-2-14-37-35(12-1)36-13-3-4-15-38(36)43-27-31(20-23-39(37)43)30-10-9-11-34(26-30)49-45-18-7-5-16-40(45)41-24-21-33(29-46(41)49)32-22-25-48-44(28-32)42-17-6-8-19-47(42)50-48;1-2/h1-21,23-24,26-29H,22,25H2;1-2H3.
What are the key properties of 2-(3,4-dihydrodibenzofuran-2-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;ethane?
2-(3,4-dihydrodibenzofuran-2-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;ethane has a molecular weight of 667.85 g/mol, XLogP of 14.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydrodibenzofuran-2-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;ethane is sourced from PubChem (CID 144907467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).