9-(4-phenylpyrimidin-2-yl)-14-(5-phenylpyrimidin-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

C38H24N6 — CID 126755686

IUPAC9-(4-phenylpyrimidin-2-yl)-14-(5-phenylpyrimidin-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
SMILESc1ccc(-c2cnc(-n3c4ccccc4c4c5c6ccccc6n(-c6nccc(-c7ccccc7)n6)c5ccc43)nc2)cc1
InChIInChI=1S/C38H24N6/c1-3-11-25(12-4-1)27-23-40-37(41-24-27)43-31-17-9-7-15-28(31)35-33(43)19-20-34-36(35)29-16-8-10-18-32(29)44(34)38-39-22-21-30(42-38)26-13-5-2-6-14-26/h1-24H
InChIKeyKVIWSPRPWALPEI-UHFFFAOYSA-N
MW564.65 g/mol
LogP8.79
Rot. Bonds4

About 9-(4-phenylpyrimidin-2-yl)-14-(5-phenylpyrimidin-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

9-(4-phenylpyrimidin-2-yl)-14-(5-phenylpyrimidin-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 (PubChem CID 126755686) has the molecular formula C38H24N6 and a molecular weight of 564.65 g/mol. Its IUPAC name is 9-(4-phenylpyrimidin-2-yl)-14-(5-phenylpyrimidin-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.

Molecular Properties

Compound Name9-(4-phenylpyrimidin-2-yl)-14-(5-phenylpyrimidin-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
PubChem CID126755686
Molecular FormulaC38H24N6
Molecular Weight564.65 g/mol
Exact Mass564.21
IUPAC Name9-(4-phenylpyrimidin-2-yl)-14-(5-phenylpyrimidin-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
SMILESc1ccc(-c2cnc(-n3c4ccccc4c4c5c6ccccc6n(-c6nccc(-c7ccccc7)n6)c5ccc43)nc2)cc1
InChIInChI=1S/C38H24N6/c1-3-11-25(12-4-1)27-23-40-37(41-24-27)43-31-17-9-7-15-28(31)35-33(43)19-20-34-36(35)29-16-8-10-18-32(29)44(34)38-39-22-21-30(42-38)26-13-5-2-6-14-26/h1-24H
InChIKeyKVIWSPRPWALPEI-UHFFFAOYSA-N
XLogP8.79
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.65
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-(4-phenylpyrimidin-2-yl)-14-(5-phenylpyrimidin-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 with MolForge

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Related Compounds

9-phenyl-14-(3-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-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-phenyl-14-(6-phenyl-2-pyridinyl)-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-(5-phenylpyrimidin-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 160884284
2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 118083964
5-[4-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 163545028
11-phenyl-5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 71235139
5,9-diphenyl-7-[4-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole
CID 90269657
9-phenyl-14-pyrimidin-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 58038360
9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-4-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole
CID 126582844
9-(4-carbazol-9-ylphenyl)-14-(4,6-diphenylpyrimidin-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 140937291
9,14-bis(4,6-diphenylpyrimidin-2-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 70851555
5-[4-[2-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 163673833
3-(9-phenylcarbazol-3-yl)-9-[4-[5-(3-phenylphenyl)-3-pyridinyl]pyrimidin-2-yl]carbazole
CID 90086381
7-(4,6-diphenylpyrimidin-2-yl)pyrido[2,3-c]carbazole
CID 70836942

Frequently Asked Questions

What is the IUPAC name of 9-(4-phenylpyrimidin-2-yl)-14-(5-phenylpyrimidin-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?
The IUPAC name of 9-(4-phenylpyrimidin-2-yl)-14-(5-phenylpyrimidin-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 126755686) is 9-(4-phenylpyrimidin-2-yl)-14-(5-phenylpyrimidin-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.
What is the SMILES notation for 9-(4-phenylpyrimidin-2-yl)-14-(5-phenylpyrimidin-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?
The canonical SMILES for 9-(4-phenylpyrimidin-2-yl)-14-(5-phenylpyrimidin-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 is c1ccc(-c2cnc(-n3c4ccccc4c4c5c6ccccc6n(-c6nccc(-c7ccccc7)n6)c5ccc43)nc2)cc1.
What is the InChIKey of 9-(4-phenylpyrimidin-2-yl)-14-(5-phenylpyrimidin-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?
The InChIKey is KVIWSPRPWALPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N6/c1-3-11-25(12-4-1)27-23-40-37(41-24-27)43-31-17-9-7-15-28(31)35-33(43)19-20-34-36(35)29-16-8-10-18-32(29)44(34)38-39-22-21-30(42-38)26-13-5-2-6-14-26/h1-24H.
What are the key properties of 9-(4-phenylpyrimidin-2-yl)-14-(5-phenylpyrimidin-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?
9-(4-phenylpyrimidin-2-yl)-14-(5-phenylpyrimidin-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 has a molecular weight of 564.65 g/mol, XLogP of 8.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-phenylpyrimidin-2-yl)-14-(5-phenylpyrimidin-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 is sourced from PubChem (CID 126755686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).