14,14-dimethyl-21-(5-methyl-2,4-diphenyl-4,5-dihydropyrimidin-6-yl)-10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C44H36N4 — CID 91215074

IUPAC14,14-dimethyl-21-(5-methyl-2,4-diphenyl-4,5-dihydropyrimidin-6-yl)-10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESCC1C(N2c3ccccc3C(C)(C)c3cc4c(cc32)c2ccccc2n4-c2ccccc2)=NC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C44H36N4/c1-29-41(30-17-7-4-8-18-30)45-42(31-19-9-5-10-20-31)46-43(29)48-38-26-16-14-24-35(38)44(2,3)36-28-39-34(27-40(36)48)33-23-13-15-25-37(33)47(39)32-21-11-6-12-22-32/h4-29,41H,1-3H3
InChIKeyFLXSXHCAZJHTJW-UHFFFAOYSA-N
MW620.80 g/mol
LogP10.80
Rot. Bonds3

About 14,14-dimethyl-21-(5-methyl-2,4-diphenyl-4,5-dihydropyrimidin-6-yl)-10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

14,14-dimethyl-21-(5-methyl-2,4-diphenyl-4,5-dihydropyrimidin-6-yl)-10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 91215074) has the molecular formula C44H36N4 and a molecular weight of 620.80 g/mol. Its IUPAC name is 14,14-dimethyl-21-(5-methyl-2,4-diphenyl-4,5-dihydropyrimidin-6-yl)-10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

Compound Name14,14-dimethyl-21-(5-methyl-2,4-diphenyl-4,5-dihydropyrimidin-6-yl)-10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
PubChem CID91215074
Molecular FormulaC44H36N4
Molecular Weight620.80 g/mol
Exact Mass620.29
IUPAC Name14,14-dimethyl-21-(5-methyl-2,4-diphenyl-4,5-dihydropyrimidin-6-yl)-10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESCC1C(N2c3ccccc3C(C)(C)c3cc4c(cc32)c2ccccc2n4-c2ccccc2)=NC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C44H36N4/c1-29-41(30-17-7-4-8-18-30)45-42(31-19-9-5-10-20-31)46-43(29)48-38-26-16-14-24-35(38)44(2,3)36-28-39-34(27-40(36)48)33-23-13-15-25-37(33)47(39)32-21-11-6-12-22-32/h4-29,41H,1-3H3
InChIKeyFLXSXHCAZJHTJW-UHFFFAOYSA-N
XLogP10.80
TPSA32.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.80
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14,14-dimethyl-21-(5-methyl-2,4-diphenyl-4,5-dihydropyrimidin-6-yl)-10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene with MolForge

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Related Compounds

14-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 66805066
14,14,21-trimethyl-10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146580601
14,14-dimethyl-10-phenyl-21-[4-(1-phenylbenzimidazol-2-yl)phenyl]-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 66805197
14-[20-(9,9-dimethylacridin-10-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaenyl]-21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146213171
11,11,19,19-tetramethyl-15,26-diphenyl-15,26-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene
CID 66805110
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-naphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 66804825
10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724
10,10,21,21-tetramethyl-14-(9-phenylcarbazol-3-yl)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130450658
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312
21,21-dimethyl-10-phenyl-14-(6-phenyl-2-pyridinyl)-10,12,14-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 165164271
10-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole
CID 118315612
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318

Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-21-(5-methyl-2,4-diphenyl-4,5-dihydropyrimidin-6-yl)-10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The IUPAC name of 14,14-dimethyl-21-(5-methyl-2,4-diphenyl-4,5-dihydropyrimidin-6-yl)-10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 91215074) is 14,14-dimethyl-21-(5-methyl-2,4-diphenyl-4,5-dihydropyrimidin-6-yl)-10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.
What is the SMILES notation for 14,14-dimethyl-21-(5-methyl-2,4-diphenyl-4,5-dihydropyrimidin-6-yl)-10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The canonical SMILES for 14,14-dimethyl-21-(5-methyl-2,4-diphenyl-4,5-dihydropyrimidin-6-yl)-10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is CC1C(N2c3ccccc3C(C)(C)c3cc4c(cc32)c2ccccc2n4-c2ccccc2)=NC(c2ccccc2)=NC1c1ccccc1.
What is the InChIKey of 14,14-dimethyl-21-(5-methyl-2,4-diphenyl-4,5-dihydropyrimidin-6-yl)-10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The InChIKey is FLXSXHCAZJHTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N4/c1-29-41(30-17-7-4-8-18-30)45-42(31-19-9-5-10-20-31)46-43(29)48-38-26-16-14-24-35(38)44(2,3)36-28-39-34(27-40(36)48)33-23-13-15-25-37(33)47(39)32-21-11-6-12-22-32/h4-29,41H,1-3H3.
What are the key properties of 14,14-dimethyl-21-(5-methyl-2,4-diphenyl-4,5-dihydropyrimidin-6-yl)-10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
14,14-dimethyl-21-(5-methyl-2,4-diphenyl-4,5-dihydropyrimidin-6-yl)-10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 620.80 g/mol, XLogP of 10.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dimethyl-21-(5-methyl-2,4-diphenyl-4,5-dihydropyrimidin-6-yl)-10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 91215074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).