9-phenyl-14-[6-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C56H36N4 — CID 155241271

IUPAC9-phenyl-14-[6-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc(-c2cc(-c3ccc4c(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)cccc4c3)nc(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C56H36N4/c1-4-17-37(18-5-1)42-24-10-11-25-44(42)56-57-47(38-19-6-2-7-20-38)36-48(58-56)40-31-32-43-39(35-40)21-16-30-49(43)60-51-29-15-13-27-46(51)55-53(60)34-33-52-54(55)45-26-12-14-28-50(45)59(52)41-22-8-3-9-23-41/h1-36H
InChIKeyJUGSSXOEGXTCRS-UHFFFAOYSA-N
MW764.93 g/mol
LogP14.49
Rot. Bonds6

About 9-phenyl-14-[6-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9-phenyl-14-[6-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 155241271) has the molecular formula C56H36N4 and a molecular weight of 764.93 g/mol. Its IUPAC name is 9-phenyl-14-[6-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name9-phenyl-14-[6-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID155241271
Molecular FormulaC56H36N4
Molecular Weight764.93 g/mol
Exact Mass764.29
IUPAC Name9-phenyl-14-[6-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc(-c2cc(-c3ccc4c(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)cccc4c3)nc(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C56H36N4/c1-4-17-37(18-5-1)42-24-10-11-25-44(42)56-57-47(38-19-6-2-7-20-38)36-48(58-56)40-31-32-43-39(35-40)21-16-30-49(43)60-51-29-15-13-27-46(51)55-53(60)34-33-52-54(55)45-26-12-14-28-50(45)59(52)41-22-8-3-9-23-41/h1-36H
InChIKeyJUGSSXOEGXTCRS-UHFFFAOYSA-N
XLogP14.49
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.93
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-phenyl-14-[6-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Related Compounds

9-[5-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 159656743
9-phenyl-14-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 149080755
12-phenyl-5-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]indolo[3,2-c]carbazole;12-phenyl-5-[6-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[3,2-c]carbazole
CID 161348228
12-naphthalen-1-yl-5-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 155240323
12-[5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 122550981
12-[2-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole;5-phenyl-12-[2-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]indolo[3,2-c]carbazole;5-phenyl-12-[2-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole;5-phenyl-12-[2-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 158523648
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 121306271
5-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 139497018
5-naphthalen-1-yl-12-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]indolo[3,2-c]carbazole;5-(3-phenylphenyl)-12-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 159221597
9-naphthalen-1-yl-14-(6-phenylnaphthalen-1-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 142551551
12-[5-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[3-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163717602
9-(2-naphthalen-1-yl-6-phenylpyrimidin-4-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140937249

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-14-[6-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 9-phenyl-14-[6-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 155241271) is 9-phenyl-14-[6-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 9-phenyl-14-[6-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 9-phenyl-14-[6-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc(-c2cc(-c3ccc4c(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)cccc4c3)nc(-c3ccccc3-c3ccccc3)n2)cc1.
What is the InChIKey of 9-phenyl-14-[6-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is JUGSSXOEGXTCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4/c1-4-17-37(18-5-1)42-24-10-11-25-44(42)56-57-47(38-19-6-2-7-20-38)36-48(58-56)40-31-32-43-39(35-40)21-16-30-49(43)60-51-29-15-13-27-46(51)55-53(60)34-33-52-54(55)45-26-12-14-28-50(45)59(52)41-22-8-3-9-23-41/h1-36H.
What are the key properties of 9-phenyl-14-[6-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
9-phenyl-14-[6-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 764.93 g/mol, XLogP of 14.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-14-[6-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 155241271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).