4-phenyl-5-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),10,13,15-heptaene

C54H37N5 — CID 129268600

IUPAC4-phenyl-5-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),10,13,15-heptaene
SMILESC1=Cc2c(c3c(nc(-c4ccccc4)n3-c3ccc(-c4ccc(-c5cc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccccc6)n5)cc4)cc3)c3ccccc23)CN1
InChIInChI=1S/C54H37N5/c1-4-12-36(13-5-1)37-20-24-40(25-21-37)49-34-50(57-53(56-49)42-14-6-2-7-15-42)41-26-22-38(23-27-41)39-28-30-44(31-29-39)59-52-48-35-55-33-32-46(48)45-18-10-11-19-47(45)51(52)58-54(59)43-16-8-3-9-17-43/h1-34,55H,35H2
InChIKeyDUVLRWRXSBKHJV-UHFFFAOYSA-N
MW755.93 g/mol
LogP13.04
Rot. Bonds7

About 4-phenyl-5-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),10,13,15-heptaene

4-phenyl-5-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),10,13,15-heptaene (PubChem CID 129268600) has the molecular formula C54H37N5 and a molecular weight of 755.93 g/mol. Its IUPAC name is 4-phenyl-5-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),10,13,15-heptaene.

Molecular Properties

Compound Name4-phenyl-5-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),10,13,15-heptaene
PubChem CID129268600
Molecular FormulaC54H37N5
Molecular Weight755.93 g/mol
Exact Mass755.30
IUPAC Name4-phenyl-5-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),10,13,15-heptaene
SMILESC1=Cc2c(c3c(nc(-c4ccccc4)n3-c3ccc(-c4ccc(-c5cc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccccc6)n5)cc4)cc3)c3ccccc23)CN1
InChIInChI=1S/C54H37N5/c1-4-12-36(13-5-1)37-20-24-40(25-21-37)49-34-50(57-53(56-49)42-14-6-2-7-15-42)41-26-22-38(23-27-41)39-28-30-44(31-29-39)59-52-48-35-55-33-32-46(48)45-18-10-11-19-47(45)51(52)58-54(59)43-16-8-3-9-17-43/h1-34,55H,35H2
InChIKeyDUVLRWRXSBKHJV-UHFFFAOYSA-N
XLogP13.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.93
LogP ≤ 513.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-phenyl-5-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),10,13,15-heptaene with MolForge

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Related Compounds

2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-3-phenylphenanthro[9,10-d]imidazole
CID 89279828
2-[3,5-bis(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole
CID 89279864
3-(4-methylphenyl)-2-phenylphenanthro[9,10-d]imidazole
CID 139176008
3-[3-[3-(2,4-diphenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]phenyl]-4-phenyl-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),10,13,15-heptaene
CID 129269115
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 126494792
9-[4-[4-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole;9-[4-[4-[6-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158785186
9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 58943231
2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c][1,5]naphthyridine
CID 146581219
3-carbazol-9-yl-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730416
9-[3-carbazol-9-yl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 165000137
9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 58971465
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,6-bis(4-phenylphenyl)benzo[h]quinoline
CID 70836420

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),10,13,15-heptaene?
The IUPAC name of 4-phenyl-5-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),10,13,15-heptaene (CID 129268600) is 4-phenyl-5-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),10,13,15-heptaene.
What is the SMILES notation for 4-phenyl-5-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),10,13,15-heptaene?
The canonical SMILES for 4-phenyl-5-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),10,13,15-heptaene is C1=Cc2c(c3c(nc(-c4ccccc4)n3-c3ccc(-c4ccc(-c5cc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccccc6)n5)cc4)cc3)c3ccccc23)CN1.
What is the InChIKey of 4-phenyl-5-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),10,13,15-heptaene?
The InChIKey is DUVLRWRXSBKHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N5/c1-4-12-36(13-5-1)37-20-24-40(25-21-37)49-34-50(57-53(56-49)42-14-6-2-7-15-42)41-26-22-38(23-27-41)39-28-30-44(31-29-39)59-52-48-35-55-33-32-46(48)45-18-10-11-19-47(45)51(52)58-54(59)43-16-8-3-9-17-43/h1-34,55H,35H2.
What are the key properties of 4-phenyl-5-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),10,13,15-heptaene?
4-phenyl-5-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),10,13,15-heptaene has a molecular weight of 755.93 g/mol, XLogP of 13.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),10,13,15-heptaene is sourced from PubChem (CID 129268600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).