5-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C59H37N5 — CID 164724056

IUPAC5-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cccc4c3c3cc5c(cc3n4-c3ccccc3)c(-c3ccccc3)nc3ccccc35)n2)cc1
InChIInChI=1S/C59H37N5/c1-4-17-39(18-5-1)58-48-36-56-49(35-47(48)43-23-10-13-27-50(43)60-58)57-46(26-16-30-55(57)64(56)41-21-8-3-9-22-41)52-37-51(61-59(62-52)40-19-6-2-7-20-40)38-31-33-42(34-32-38)63-53-28-14-11-24-44(53)45-25-12-15-29-54(45)63/h1-37H
InChIKeyASICMGLFSIBNEP-UHFFFAOYSA-N
MW815.98 g/mol
LogP15.04
Rot. Bonds6

About 5-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

5-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 164724056) has the molecular formula C59H37N5 and a molecular weight of 815.98 g/mol. Its IUPAC name is 5-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

Compound Name5-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
PubChem CID164724056
Molecular FormulaC59H37N5
Molecular Weight815.98 g/mol
Exact Mass815.30
IUPAC Name5-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cccc4c3c3cc5c(cc3n4-c3ccccc3)c(-c3ccccc3)nc3ccccc35)n2)cc1
InChIInChI=1S/C59H37N5/c1-4-17-39(18-5-1)58-48-36-56-49(35-47(48)43-23-10-13-27-50(43)60-58)57-46(26-16-30-55(57)64(56)41-21-8-3-9-22-41)52-37-51(61-59(62-52)40-19-6-2-7-20-40)38-31-33-42(34-32-38)63-53-28-14-11-24-44(53)45-25-12-15-29-54(45)63/h1-37H
InChIKeyASICMGLFSIBNEP-UHFFFAOYSA-N
XLogP15.04
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.98
LogP ≤ 515.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene with MolForge

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Related Compounds

21-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-phenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 129122933
10,14-diphenyl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,14-diphenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 164964426
5-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 164723927
10,21-diphenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 164723947
17-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 166584322
14-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129122609
10,21-diphenyl-6-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene
CID 160907570
3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 118528300
20-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 166584523
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 121306271
10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 129122143
17-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 166584755

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The IUPAC name of 5-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 164724056) is 5-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.
What is the SMILES notation for 5-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The canonical SMILES for 5-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cccc4c3c3cc5c(cc3n4-c3ccccc3)c(-c3ccccc3)nc3ccccc35)n2)cc1.
What is the InChIKey of 5-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The InChIKey is ASICMGLFSIBNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N5/c1-4-17-39(18-5-1)58-48-36-56-49(35-47(48)43-23-10-13-27-50(43)60-58)57-46(26-16-30-55(57)64(56)41-21-8-3-9-22-41)52-37-51(61-59(62-52)40-19-6-2-7-20-40)38-31-33-42(34-32-38)63-53-28-14-11-24-44(53)45-25-12-15-29-54(45)63/h1-37H.
What are the key properties of 5-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
5-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 815.98 g/mol, XLogP of 15.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 164724056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).