8-[10-(3,6-ditert-butylcarbazol-9-yl)anthracen-9-yl]dibenzofuran-2-ol

C46H39NO2 — CID 171053190

IUPAC8-[10-(3,6-ditert-butylcarbazol-9-yl)anthracen-9-yl]dibenzofuran-2-ol
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c2ccccc2c(-c2ccc3oc4ccc(O)cc4c3c2)c2ccccc12
InChIInChI=1S/C46H39NO2/c1-45(2,3)28-16-19-39-35(24-28)36-25-29(46(4,5)6)17-20-40(36)47(39)44-33-13-9-7-11-31(33)43(32-12-8-10-14-34(32)44)27-15-21-41-37(23-27)38-26-30(48)18-22-42(38)49-41/h7-26,48H,1-6H3
InChIKeyMRTYKAGBQRLHSW-UHFFFAOYSA-N
MW637.82 g/mol
LogP12.96
Rot. Bonds2

About 8-[10-(3,6-ditert-butylcarbazol-9-yl)anthracen-9-yl]dibenzofuran-2-ol

8-[10-(3,6-ditert-butylcarbazol-9-yl)anthracen-9-yl]dibenzofuran-2-ol (PubChem CID 171053190) has the molecular formula C46H39NO2 and a molecular weight of 637.82 g/mol. Its IUPAC name is 8-[10-(3,6-ditert-butylcarbazol-9-yl)anthracen-9-yl]dibenzofuran-2-ol.

Molecular Properties

Compound Name8-[10-(3,6-ditert-butylcarbazol-9-yl)anthracen-9-yl]dibenzofuran-2-ol
PubChem CID171053190
Molecular FormulaC46H39NO2
Molecular Weight637.82 g/mol
Exact Mass637.30
IUPAC Name8-[10-(3,6-ditert-butylcarbazol-9-yl)anthracen-9-yl]dibenzofuran-2-ol
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c2ccccc2c(-c2ccc3oc4ccc(O)cc4c3c2)c2ccccc12
InChIInChI=1S/C46H39NO2/c1-45(2,3)28-16-19-39-35(24-28)36-25-29(46(4,5)6)17-20-40(36)47(39)44-33-13-9-7-11-31(33)43(32-12-8-10-14-34(32)44)27-15-21-41-37(23-27)38-26-30(48)18-22-42(38)49-41/h7-26,48H,1-6H3
InChIKeyMRTYKAGBQRLHSW-UHFFFAOYSA-N
XLogP12.96
TPSA38.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.82
LogP ≤ 512.96
H-Bond Donors ≤ 51
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-[10-[8-(10-carbazol-9-ylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole;3,6-ditert-butyl-9-[10-[8-[10-(3,6-ditert-butylcarbazol-9-yl)anthracen-9-yl]dibenzofuran-1-yl]anthracen-9-yl]carbazole;9-[10-[8-[10-(3,6-diphenylcarbazol-9-yl)anthracen-9-yl]dibenzofuran-1-yl]anthracen-9-yl]-3,6-diphenylcarbazole
CID 159599118
2-(2,6-ditert-butyl-10-phenylanthracen-9-yl)dibenzofuran
CID 134486680
2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran
CID 144568487
1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-methylbenzimidazole
CID 170236795
2,8-ditert-butyldibenzofuran
CID 14914466
3,6-ditert-butyl-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 59844594
9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729209
6-[8-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol
CID 160775990
3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole
CID 146281036
3,6-ditert-butyl-9-[4-(4-dibenzofuran-1-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;3,6-ditert-butyl-9-[4-(4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;3,6-ditert-butyl-9-[4-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole;3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole;3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole
CID 158060899
5-tert-butyl-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 129035048
8-(2-tert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(2,6-ditert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(3,10-diphenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 158500156

Frequently Asked Questions

What is the IUPAC name of 8-[10-(3,6-ditert-butylcarbazol-9-yl)anthracen-9-yl]dibenzofuran-2-ol?
The IUPAC name of 8-[10-(3,6-ditert-butylcarbazol-9-yl)anthracen-9-yl]dibenzofuran-2-ol (CID 171053190) is 8-[10-(3,6-ditert-butylcarbazol-9-yl)anthracen-9-yl]dibenzofuran-2-ol.
What is the SMILES notation for 8-[10-(3,6-ditert-butylcarbazol-9-yl)anthracen-9-yl]dibenzofuran-2-ol?
The canonical SMILES for 8-[10-(3,6-ditert-butylcarbazol-9-yl)anthracen-9-yl]dibenzofuran-2-ol is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c2ccccc2c(-c2ccc3oc4ccc(O)cc4c3c2)c2ccccc12.
What is the InChIKey of 8-[10-(3,6-ditert-butylcarbazol-9-yl)anthracen-9-yl]dibenzofuran-2-ol?
The InChIKey is MRTYKAGBQRLHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H39NO2/c1-45(2,3)28-16-19-39-35(24-28)36-25-29(46(4,5)6)17-20-40(36)47(39)44-33-13-9-7-11-31(33)43(32-12-8-10-14-34(32)44)27-15-21-41-37(23-27)38-26-30(48)18-22-42(38)49-41/h7-26,48H,1-6H3.
What are the key properties of 8-[10-(3,6-ditert-butylcarbazol-9-yl)anthracen-9-yl]dibenzofuran-2-ol?
8-[10-(3,6-ditert-butylcarbazol-9-yl)anthracen-9-yl]dibenzofuran-2-ol has a molecular weight of 637.82 g/mol, XLogP of 12.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[10-(3,6-ditert-butylcarbazol-9-yl)anthracen-9-yl]dibenzofuran-2-ol is sourced from PubChem (CID 171053190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).