3-dibenzofuran-4-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole

C54H39NO — CID 90180761

IUPAC3-dibenzofuran-4-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole
SMILESCc1cc2c(-c3ccccc3)c3cc(C)c(C)cc3c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)cc3)c2cc1C
InChIInChI=1S/C54H39NO/c1-32-27-45-47(29-34(32)3)53(48-30-35(4)33(2)28-46(48)52(45)36-13-6-5-7-14-36)37-21-24-39(25-22-37)55-49-19-10-8-15-41(49)44-31-38(23-26-50(44)55)40-17-12-18-43-42-16-9-11-20-51(42)56-54(40)43/h5-31H,1-4H3
InChIKeyNRULEWTXQCKMJJ-UHFFFAOYSA-N
MW717.91 g/mol
LogP15.22
Rot. Bonds4

About 3-dibenzofuran-4-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole

3-dibenzofuran-4-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole (PubChem CID 90180761) has the molecular formula C54H39NO and a molecular weight of 717.91 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole
PubChem CID90180761
Molecular FormulaC54H39NO
Molecular Weight717.91 g/mol
Exact Mass717.30
IUPAC Name3-dibenzofuran-4-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole
SMILESCc1cc2c(-c3ccccc3)c3cc(C)c(C)cc3c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)cc3)c2cc1C
InChIInChI=1S/C54H39NO/c1-32-27-45-47(29-34(32)3)53(48-30-35(4)33(2)28-46(48)52(45)36-13-6-5-7-14-36)37-21-24-39(25-22-37)55-49-19-10-8-15-41(49)44-31-38(23-26-50(44)55)40-17-12-18-43-42-16-9-11-20-51(42)56-54(40)43/h5-31H,1-4H3
InChIKeyNRULEWTXQCKMJJ-UHFFFAOYSA-N
XLogP15.22
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.91
LogP ≤ 515.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87153723
9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
CID 87156706
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
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
9-[3-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;3-[3-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]-9-phenylcarbazole
CID 158195291
2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160885475
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
2-dibenzofuran-4-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-3,6-bis(2,6,8-triphenyldibenzofuran-4-yl)carbazole;2-(2,8-diphenyldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159084484
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 158714965

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole?
The IUPAC name of 3-dibenzofuran-4-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole (CID 90180761) is 3-dibenzofuran-4-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole.
What is the SMILES notation for 3-dibenzofuran-4-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole?
The canonical SMILES for 3-dibenzofuran-4-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole is Cc1cc2c(-c3ccccc3)c3cc(C)c(C)cc3c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)cc3)c2cc1C.
What is the InChIKey of 3-dibenzofuran-4-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole?
The InChIKey is NRULEWTXQCKMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39NO/c1-32-27-45-47(29-34(32)3)53(48-30-35(4)33(2)28-46(48)52(45)36-13-6-5-7-14-36)37-21-24-39(25-22-37)55-49-19-10-8-15-41(49)44-31-38(23-26-50(44)55)40-17-12-18-43-42-16-9-11-20-51(42)56-54(40)43/h5-31H,1-4H3.
What are the key properties of 3-dibenzofuran-4-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole?
3-dibenzofuran-4-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole has a molecular weight of 717.91 g/mol, XLogP of 15.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole is sourced from PubChem (CID 90180761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).