6,8-diphenyl-20-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-10-oxa-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene

C50H31N5O — CID 176726038

IUPAC6,8-diphenyl-20-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-10-oxa-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-n4c5ccccc5c5cc6oc7c(-c8ccccc8)nc(-c8ccccc8)nc7c6cc54)n3)cc2)cc1
InChIInChI=1S/C50H31N5O/c1-5-15-32(16-6-1)33-25-27-37(28-26-33)49-51-41(34-17-7-2-8-18-34)31-45(52-49)55-42-24-14-13-23-38(42)39-30-44-40(29-43(39)55)47-48(56-44)46(35-19-9-3-10-20-35)53-50(54-47)36-21-11-4-12-22-36/h1-31H
InChIKeyUSKGNCVUPQDQKJ-UHFFFAOYSA-N
MW717.83 g/mol
LogP12.60
Rot. Bonds6

About 6,8-diphenyl-20-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-10-oxa-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene

6,8-diphenyl-20-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-10-oxa-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene (PubChem CID 176726038) has the molecular formula C50H31N5O and a molecular weight of 717.83 g/mol. Its IUPAC name is 6,8-diphenyl-20-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-10-oxa-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene.

Molecular Properties

Compound Name6,8-diphenyl-20-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-10-oxa-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
PubChem CID176726038
Molecular FormulaC50H31N5O
Molecular Weight717.83 g/mol
Exact Mass717.25
IUPAC Name6,8-diphenyl-20-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-10-oxa-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-n4c5ccccc5c5cc6oc7c(-c8ccccc8)nc(-c8ccccc8)nc7c6cc54)n3)cc2)cc1
InChIInChI=1S/C50H31N5O/c1-5-15-32(16-6-1)33-25-27-37(28-26-33)49-51-41(34-17-7-2-8-18-34)31-45(52-49)55-42-24-14-13-23-38(42)39-30-44-40(29-43(39)55)47-48(56-44)46(35-19-9-3-10-20-35)53-50(54-47)36-21-11-4-12-22-36/h1-31H
InChIKeyUSKGNCVUPQDQKJ-UHFFFAOYSA-N
XLogP12.60
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.83
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6,8-diphenyl-20-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-10-oxa-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-[6-dibenzofuran-3-yl-2-(4-phenylphenyl)pyrimidin-4-yl]-5-phenylindolo[3,2-b]carbazole
CID 118154475
3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 122451711
3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 146572869
5-phenyl-11-[6-phenyl-2-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]indolo[3,2-b]carbazole
CID 139496867
5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]indolo[2,3-b]carbazole
CID 158545960
2-phenyl-8-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 142551150
12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole
CID 90085604
4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 163455374
4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 142592740
4,8-diphenyl-2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 167047673
7-(4-carbazol-9-ylphenyl)-2-phenyl-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 142550907
8-(4-carbazol-9-ylphenyl)-2-phenyl-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 146606368

Frequently Asked Questions

What is the IUPAC name of 6,8-diphenyl-20-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-10-oxa-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene?
The IUPAC name of 6,8-diphenyl-20-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-10-oxa-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene (CID 176726038) is 6,8-diphenyl-20-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-10-oxa-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene.
What is the SMILES notation for 6,8-diphenyl-20-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-10-oxa-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene?
The canonical SMILES for 6,8-diphenyl-20-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-10-oxa-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene is c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-n4c5ccccc5c5cc6oc7c(-c8ccccc8)nc(-c8ccccc8)nc7c6cc54)n3)cc2)cc1.
What is the InChIKey of 6,8-diphenyl-20-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-10-oxa-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene?
The InChIKey is USKGNCVUPQDQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5O/c1-5-15-32(16-6-1)33-25-27-37(28-26-33)49-51-41(34-17-7-2-8-18-34)31-45(52-49)55-42-24-14-13-23-38(42)39-30-44-40(29-43(39)55)47-48(56-44)46(35-19-9-3-10-20-35)53-50(54-47)36-21-11-4-12-22-36/h1-31H.
What are the key properties of 6,8-diphenyl-20-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-10-oxa-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene?
6,8-diphenyl-20-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-10-oxa-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene has a molecular weight of 717.83 g/mol, XLogP of 12.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-diphenyl-20-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-10-oxa-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene is sourced from PubChem (CID 176726038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).