17,18,19,20-tetradeuterio-10-phenyl-15-pyridin-3-yl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C31H20N2 — CID 90310248

IUPAC17,18,19,20-tetradeuterio-10-phenyl-15-pyridin-3-yl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILES[2H]c1c([2H])c([2H])c2c(c(-c3cccnc3)cc3cc4c(cc32)c2ccccc2n4-c2ccccc2)c1[2H]
InChIInChI=1S/C31H20N2/c1-2-10-23(11-3-1)33-30-15-7-6-14-26(30)29-19-28-22(18-31(29)33)17-27(21-9-8-16-32-20-21)24-12-4-5-13-25(24)28/h1-20H/i4D,5D,12D,13D
InChIKeyAVYSZQHGRWDEFB-FVYLRRGISA-N
MW424.54 g/mol
LogP8.15
Rot. Bonds2

About 17,18,19,20-tetradeuterio-10-phenyl-15-pyridin-3-yl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

17,18,19,20-tetradeuterio-10-phenyl-15-pyridin-3-yl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 90310248) has the molecular formula C31H20N2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 17,18,19,20-tetradeuterio-10-phenyl-15-pyridin-3-yl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

Compound Name17,18,19,20-tetradeuterio-10-phenyl-15-pyridin-3-yl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
PubChem CID90310248
Molecular FormulaC31H20N2
Molecular Weight424.54 g/mol
Exact Mass424.19
IUPAC Name17,18,19,20-tetradeuterio-10-phenyl-15-pyridin-3-yl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILES[2H]c1c([2H])c([2H])c2c(c(-c3cccnc3)cc3cc4c(cc32)c2ccccc2n4-c2ccccc2)c1[2H]
InChIInChI=1S/C31H20N2/c1-2-10-23(11-3-1)33-30-15-7-6-14-26(30)29-19-28-22(18-31(29)33)17-27(21-9-8-16-32-20-21)24-12-4-5-13-25(24)28/h1-20H/i4D,5D,12D,13D
InChIKeyAVYSZQHGRWDEFB-FVYLRRGISA-N
XLogP8.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 17,18,19,20-tetradeuterio-10-phenyl-15-pyridin-3-yl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene with MolForge

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Related Compounds

7-phenyl-14-(4-pyridin-3-ylphenyl)-7,14-diazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene
CID 90223627
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
7-phenyl-14-(2-pyridin-3-ylpyrimidin-5-yl)-7,14-diazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene
CID 90223583
9-phenyl-3-[7-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole
CID 164843360
5-pyridin-3-ylbenzo[b]carbazole
CID 122464099
3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole
CID 126749641
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 160869531
12-(4-methoxyphenyl)-17-phenyl-17-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
CID 90310220
26-(3-pyridin-3-ylphenyl)-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene
CID 90432851
11-[4-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole;11-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 161403390
10-phenyl-20-(9-phenylcarbazol-2-yl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 90310187
3-carbazol-9-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole;ethane
CID 142560210

Frequently Asked Questions

What is the IUPAC name of 17,18,19,20-tetradeuterio-10-phenyl-15-pyridin-3-yl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The IUPAC name of 17,18,19,20-tetradeuterio-10-phenyl-15-pyridin-3-yl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 90310248) is 17,18,19,20-tetradeuterio-10-phenyl-15-pyridin-3-yl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.
What is the SMILES notation for 17,18,19,20-tetradeuterio-10-phenyl-15-pyridin-3-yl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The canonical SMILES for 17,18,19,20-tetradeuterio-10-phenyl-15-pyridin-3-yl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is [2H]c1c([2H])c([2H])c2c(c(-c3cccnc3)cc3cc4c(cc32)c2ccccc2n4-c2ccccc2)c1[2H].
What is the InChIKey of 17,18,19,20-tetradeuterio-10-phenyl-15-pyridin-3-yl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The InChIKey is AVYSZQHGRWDEFB-FVYLRRGISA-N. The full InChI is InChI=1S/C31H20N2/c1-2-10-23(11-3-1)33-30-15-7-6-14-26(30)29-19-28-22(18-31(29)33)17-27(21-9-8-16-32-20-21)24-12-4-5-13-25(24)28/h1-20H/i4D,5D,12D,13D.
What are the key properties of 17,18,19,20-tetradeuterio-10-phenyl-15-pyridin-3-yl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
17,18,19,20-tetradeuterio-10-phenyl-15-pyridin-3-yl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 424.54 g/mol, XLogP of 8.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17,18,19,20-tetradeuterio-10-phenyl-15-pyridin-3-yl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 90310248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).