5'-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazagermine]

C46H32GeN4 — CID 153437567

IUPAC5'-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazagermine]
SMILESc1ccc(-c2cc(-c3ccccc3)nc(N3c4ccccc4[Ge]4(c5ccccc5N(c5ccccc5)c5ccccc54)c4ccccc43)n2)cc1
InChIInChI=1S/C46H32GeN4/c1-4-18-33(19-5-1)40-32-41(34-20-6-2-7-21-34)49-46(48-40)51-44-30-16-12-26-38(44)47(39-27-13-17-31-45(39)51)36-24-10-14-28-42(36)50(35-22-8-3-9-23-35)43-29-15-11-25-37(43)47/h1-32H
InChIKeyAEIKUQBKFOQCSQ-UHFFFAOYSA-N
MW713.40 g/mol
LogP8.75
Rot. Bonds4

About 5'-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazagermine]

5'-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazagermine] (PubChem CID 153437567) has the molecular formula C46H32GeN4 and a molecular weight of 713.40 g/mol. Its IUPAC name is 5'-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazagermine].

Molecular Properties

Compound Name5'-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazagermine]
PubChem CID153437567
Molecular FormulaC46H32GeN4
Molecular Weight713.40 g/mol
Exact Mass714.18
IUPAC Name5'-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazagermine]
SMILESc1ccc(-c2cc(-c3ccccc3)nc(N3c4ccccc4[Ge]4(c5ccccc5N(c5ccccc5)c5ccccc54)c4ccccc43)n2)cc1
InChIInChI=1S/C46H32GeN4/c1-4-18-33(19-5-1)40-32-41(34-20-6-2-7-21-34)49-46(48-40)51-44-30-16-12-26-38(44)47(39-27-13-17-31-45(39)51)36-24-10-14-28-42(36)50(35-22-8-3-9-23-35)43-29-15-11-25-37(43)47/h1-32H
InChIKeyAEIKUQBKFOQCSQ-UHFFFAOYSA-N
XLogP8.75
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.40
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylphenazine
CID 59194569
5-(4,6-diphenylpyrimidin-2-yl)-10-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine
CID 154597670
10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 118216161
10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 118216057
22-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene
CID 164962950
5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine
CID 154597654
2'-(2,6-diphenylpyrimidin-4-yl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263417
5-[4-(4,6-diphenylpyrimidin-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine
CID 154597838
2-(2,6-diphenyl-4-pyridinyl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene
CID 123806675
10-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine
CID 159209827
10-[2-(9,9-dimethylacridin-10-yl)-6-phenylpyrimidin-4-yl]-9,9-dimethylacridine
CID 59399668
2'-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263243

Frequently Asked Questions

What is the IUPAC name of 5'-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazagermine]?
The IUPAC name of 5'-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazagermine] (CID 153437567) is 5'-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazagermine].
What is the SMILES notation for 5'-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazagermine]?
The canonical SMILES for 5'-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazagermine] is c1ccc(-c2cc(-c3ccccc3)nc(N3c4ccccc4[Ge]4(c5ccccc5N(c5ccccc5)c5ccccc54)c4ccccc43)n2)cc1.
What is the InChIKey of 5'-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazagermine]?
The InChIKey is AEIKUQBKFOQCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32GeN4/c1-4-18-33(19-5-1)40-32-41(34-20-6-2-7-21-34)49-46(48-40)51-44-30-16-12-26-38(44)47(39-27-13-17-31-45(39)51)36-24-10-14-28-42(36)50(35-22-8-3-9-23-35)43-29-15-11-25-37(43)47/h1-32H.
What are the key properties of 5'-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazagermine]?
5'-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazagermine] has a molecular weight of 713.40 g/mol, XLogP of 8.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-10,10'-spirobi[benzo[b][1,4]benzazagermine] is sourced from PubChem (CID 153437567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).