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

C56H36N4 — CID 149080755

IUPAC9-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
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)c5ccccc5c4)n3)c2)cc1
InChIInChI=1S/C56H36N4/c1-4-17-37(18-5-1)39-22-16-23-41(33-39)48-36-47(38-19-6-2-7-20-38)57-56(58-48)42-34-40-21-10-11-26-44(40)53(35-42)60-50-30-15-13-28-46(50)55-52(60)32-31-51-54(55)45-27-12-14-29-49(45)59(51)43-24-8-3-9-25-43/h1-36H
InChIKeyQQGZGTHYYNZFNZ-UHFFFAOYSA-N
MW764.93 g/mol
LogP14.49
Rot. Bonds6

About 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

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 (PubChem CID 149080755) has the molecular formula C56H36N4 and a molecular weight of 764.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID149080755
Molecular FormulaC56H36N4
Molecular Weight764.93 g/mol
Exact Mass764.29
IUPAC Name9-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
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)c5ccccc5c4)n3)c2)cc1
InChIInChI=1S/C56H36N4/c1-4-17-37(18-5-1)39-22-16-23-41(33-39)48-36-47(38-19-6-2-7-20-38)57-56(58-48)42-34-40-21-10-11-26-44(40)53(35-42)60-50-30-15-13-28-46(50)55-52(60)32-31-51-54(55)45-27-12-14-29-49(45)59(51)43-24-8-3-9-25-43/h1-36H
InChIKeyQQGZGTHYYNZFNZ-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-[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 with MolForge

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Related Compounds

5-[7-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole;12-phenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[3,2-c]carbazole
CID 160820077
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
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
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-14-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-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 169037518
9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-14-(4-phenylphenyl)-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-(3-phenylphenyl)-14-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]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 161256729
9-phenyl-14-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122579
16-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 138654466
5-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole;12-phenyl-5-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]indolo[3,2-c]carbazole
CID 161246731
9-(3,5-diphenylphenyl)-14-(3-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 118318953
14-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[4-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 157319592
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
14-[4-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122210

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)c5ccccc5c4)n3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is QQGZGTHYYNZFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4/c1-4-17-37(18-5-1)39-22-16-23-41(33-39)48-36-47(38-19-6-2-7-20-38)57-56(58-48)42-34-40-21-10-11-26-44(40)53(35-42)60-50-30-15-13-28-46(50)55-52(60)32-31-51-54(55)45-27-12-14-29-49(45)59(51)43-24-8-3-9-25-43/h1-36H.
What are the key properties of 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?
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 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-[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 is sourced from PubChem (CID 149080755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).