11-tert-butyl-5-(4-carbazol-9-ylphenyl)-17-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-8,14-dione

C60H43N3O2 — CID 166956508

IUPAC11-tert-butyl-5-(4-carbazol-9-ylphenyl)-17-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-8,14-dione
SMILESCC(C)(C)c1cc2c(=O)c3cc(-c4ccc(-n5c6c(c7ccccc75)CCC=C6)cc4)ccc3n3c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4c(=O)c(c1)c23
InChIInChI=1S/C60H43N3O2/c1-60(2,3)40-34-49-57-50(35-40)59(65)48-33-39(37-22-28-42(29-23-37)62-53-18-10-6-14-45(53)46-15-7-11-19-54(46)62)25-31-56(48)63(57)55-30-24-38(32-47(55)58(49)64)36-20-26-41(27-21-36)61-51-16-8-4-12-43(51)44-13-5-9-17-52(44)61/h4-6,8-14,16-35H,7,15H2,1-3H3
InChIKeyMCXOEEISBBKDFR-UHFFFAOYSA-N
MW838.02 g/mol
LogP14.19
Rot. Bonds4

About 11-tert-butyl-5-(4-carbazol-9-ylphenyl)-17-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-8,14-dione

11-tert-butyl-5-(4-carbazol-9-ylphenyl)-17-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-8,14-dione (PubChem CID 166956508) has the molecular formula C60H43N3O2 and a molecular weight of 838.02 g/mol. Its IUPAC name is 11-tert-butyl-5-(4-carbazol-9-ylphenyl)-17-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-8,14-dione.

Molecular Properties

Compound Name11-tert-butyl-5-(4-carbazol-9-ylphenyl)-17-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-8,14-dione
PubChem CID166956508
Molecular FormulaC60H43N3O2
Molecular Weight838.02 g/mol
Exact Mass837.34
IUPAC Name11-tert-butyl-5-(4-carbazol-9-ylphenyl)-17-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-8,14-dione
SMILESCC(C)(C)c1cc2c(=O)c3cc(-c4ccc(-n5c6c(c7ccccc75)CCC=C6)cc4)ccc3n3c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4c(=O)c(c1)c23
InChIInChI=1S/C60H43N3O2/c1-60(2,3)40-34-49-57-50(35-40)59(65)48-33-39(37-22-28-42(29-23-37)62-53-18-10-6-14-45(53)46-15-7-11-19-54(46)62)25-31-56(48)63(57)55-30-24-38(32-47(55)58(49)64)36-20-26-41(27-21-36)61-51-16-8-4-12-43(51)44-13-5-9-17-52(44)61/h4-6,8-14,16-35H,7,15H2,1-3H3
InChIKeyMCXOEEISBBKDFR-UHFFFAOYSA-N
XLogP14.19
TPSA48.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.02
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 11-tert-butyl-5-(4-carbazol-9-ylphenyl)-17-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-8,14-dione with MolForge

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Related Compounds

11-tert-butyl-5,17-bis(4-carbazol-9-ylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione;11-tert-butyl-5-(4-carbazol-9-ylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-8,14-dione
CID 159530772
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole
CID 71097259
6-tert-butyl-9-phenyl-3,4-dihydrocarbazole
CID 134351479
9-[4-[[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenylphosphoryl]phenyl]carbazole
CID 88928125
5,11-bis(4-methylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 71134727
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazole
CID 155203911
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
3-[3-[9-[4-(4-phenylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-9-yl]benzonitrile
CID 163484812
9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706
9-ethyl-3,6-bis(9-ethylcarbazol-3-yl)carbazole;3-(9-ethylcarbazol-3-yl)-9-[4-[4-[3-(9-ethyl-5,6-dihydrocarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]carbazole;9-ethyl-3-(9-ethylcarbazol-3-yl)-6-[9-ethyl-6-(9-ethylcarbazol-3-yl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 157190296
9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole
CID 142867828

Frequently Asked Questions

What is the IUPAC name of 11-tert-butyl-5-(4-carbazol-9-ylphenyl)-17-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-8,14-dione?
The IUPAC name of 11-tert-butyl-5-(4-carbazol-9-ylphenyl)-17-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-8,14-dione (CID 166956508) is 11-tert-butyl-5-(4-carbazol-9-ylphenyl)-17-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-8,14-dione.
What is the SMILES notation for 11-tert-butyl-5-(4-carbazol-9-ylphenyl)-17-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-8,14-dione?
The canonical SMILES for 11-tert-butyl-5-(4-carbazol-9-ylphenyl)-17-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-8,14-dione is CC(C)(C)c1cc2c(=O)c3cc(-c4ccc(-n5c6c(c7ccccc75)CCC=C6)cc4)ccc3n3c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4c(=O)c(c1)c23.
What is the InChIKey of 11-tert-butyl-5-(4-carbazol-9-ylphenyl)-17-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-8,14-dione?
The InChIKey is MCXOEEISBBKDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43N3O2/c1-60(2,3)40-34-49-57-50(35-40)59(65)48-33-39(37-22-28-42(29-23-37)62-53-18-10-6-14-45(53)46-15-7-11-19-54(46)62)25-31-56(48)63(57)55-30-24-38(32-47(55)58(49)64)36-20-26-41(27-21-36)61-51-16-8-4-12-43(51)44-13-5-9-17-52(44)61/h4-6,8-14,16-35H,7,15H2,1-3H3.
What are the key properties of 11-tert-butyl-5-(4-carbazol-9-ylphenyl)-17-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-8,14-dione?
11-tert-butyl-5-(4-carbazol-9-ylphenyl)-17-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-8,14-dione has a molecular weight of 838.02 g/mol, XLogP of 14.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-tert-butyl-5-(4-carbazol-9-ylphenyl)-17-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-8,14-dione is sourced from PubChem (CID 166956508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).