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

C65H41N5 — CID 166584322

IUPAC17-[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
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)c4cc6c7ccccc7n(-c7ccccc7)c6cc45)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C65H41N5/c1-4-16-43(17-5-1)57-41-58(68-65(67-57)46-32-35-49(36-33-46)69-60-25-13-10-22-51(60)52-23-11-14-26-61(52)69)44-30-28-42(29-31-44)47-34-37-50-54-40-63-55(39-56(54)64(66-59(50)38-47)45-18-6-2-7-19-45)53-24-12-15-27-62(53)70(63)48-20-8-3-9-21-48/h1-41H
InChIKeyVUTKNJPVRPLYQP-UHFFFAOYSA-N
MW892.08 g/mol
LogP16.71
Rot. Bonds7

About 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

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 (PubChem CID 166584322) has the molecular formula C65H41N5 and a molecular weight of 892.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name17-[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
PubChem CID166584322
Molecular FormulaC65H41N5
Molecular Weight892.08 g/mol
Exact Mass891.34
IUPAC Name17-[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
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)c4cc6c7ccccc7n(-c7ccccc7)c6cc45)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C65H41N5/c1-4-16-43(17-5-1)57-41-58(68-65(67-57)46-32-35-49(36-33-46)69-60-25-13-10-22-51(60)52-23-11-14-26-61(52)69)44-30-28-42(29-31-44)47-34-37-50-54-40-63-55(39-56(54)64(66-59(50)38-47)45-18-6-2-7-19-45)53-24-12-15-27-62(53)70(63)48-20-8-3-9-21-48/h1-41H
InChIKeyVUTKNJPVRPLYQP-UHFFFAOYSA-N
XLogP16.71
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.08
LogP ≤ 516.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 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
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
17-[4-[6-(3-dibenzofuran-1-ylphenyl)-2-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 166584667
10,21-diphenyl-17-[3-(6-phenylphenanthren-3-yl)phenyl]-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 166584592
10-phenyl-14-(4-triphenylen-2-ylphenyl)-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 129122722
18-[4-(2,6-dipyridin-2-yl-4-pyridinyl)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 166584434
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
5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 155240175
5-phenyl-11-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-b]carbazole
CID 158156605
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
7-[3-[3-(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-1,3(11),4(9),5,7,12,14,16,18,20-decaene
CID 164723929

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)c4cc6c7ccccc7n(-c7ccccc7)c6cc45)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is VUTKNJPVRPLYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41N5/c1-4-16-43(17-5-1)57-41-58(68-65(67-57)46-32-35-49(36-33-46)69-60-25-13-10-22-51(60)52-23-11-14-26-61(52)69)44-30-28-42(29-31-44)47-34-37-50-54-40-63-55(39-56(54)64(66-59(50)38-47)45-18-6-2-7-19-45)53-24-12-15-27-62(53)70(63)48-20-8-3-9-21-48/h1-41H.
What are the key properties of 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?
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 has a molecular weight of 892.08 g/mol, XLogP of 16.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166584322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).