10,10,20,20-tetramethyl-7-[4-(4-naphthalen-1-yl-2-pyridinyl)-6-quinolin-8-yl-2-pyridinyl]-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene

C51H37N5 — CID 118652378

IUPAC10,10,20,20-tetramethyl-7-[4-(4-naphthalen-1-yl-2-pyridinyl)-6-quinolin-8-yl-2-pyridinyl]-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
SMILESCC1(C)c2cc3c(cc2-c2ncccc21)C(C)(C)c1cc(-c2cc(-c4cc(-c5cccc6ccccc56)ccn4)cc(-c4cccc5cccnc45)n2)cnc1-3
InChIInChI=1S/C51H37N5/c1-50(2)40-18-10-21-54-48(40)38-27-42-39(28-41(38)50)49-43(51(42,3)4)23-34(29-55-49)45-25-33(26-46(56-45)37-17-8-13-31-14-9-20-53-47(31)37)44-24-32(19-22-52-44)36-16-7-12-30-11-5-6-15-35(30)36/h5-29H,1-4H3
InChIKeyBMTVSVAPVGTZBV-UHFFFAOYSA-N
MW719.89 g/mol
LogP12.25
Rot. Bonds4

About 10,10,20,20-tetramethyl-7-[4-(4-naphthalen-1-yl-2-pyridinyl)-6-quinolin-8-yl-2-pyridinyl]-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene

10,10,20,20-tetramethyl-7-[4-(4-naphthalen-1-yl-2-pyridinyl)-6-quinolin-8-yl-2-pyridinyl]-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene (PubChem CID 118652378) has the molecular formula C51H37N5 and a molecular weight of 719.89 g/mol. Its IUPAC name is 10,10,20,20-tetramethyl-7-[4-(4-naphthalen-1-yl-2-pyridinyl)-6-quinolin-8-yl-2-pyridinyl]-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene.

Molecular Properties

Compound Name10,10,20,20-tetramethyl-7-[4-(4-naphthalen-1-yl-2-pyridinyl)-6-quinolin-8-yl-2-pyridinyl]-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
PubChem CID118652378
Molecular FormulaC51H37N5
Molecular Weight719.89 g/mol
Exact Mass719.30
IUPAC Name10,10,20,20-tetramethyl-7-[4-(4-naphthalen-1-yl-2-pyridinyl)-6-quinolin-8-yl-2-pyridinyl]-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
SMILESCC1(C)c2cc3c(cc2-c2ncccc21)C(C)(C)c1cc(-c2cc(-c4cc(-c5cccc6ccccc56)ccn4)cc(-c4cccc5cccnc45)n2)cnc1-3
InChIInChI=1S/C51H37N5/c1-50(2)40-18-10-21-54-48(40)38-27-42-39(28-41(38)50)49-43(51(42,3)4)23-34(29-55-49)45-25-33(26-46(56-45)37-17-8-13-31-14-9-20-53-47(31)37)44-24-32(19-22-52-44)36-16-7-12-30-11-5-6-15-35(30)36/h5-29H,1-4H3
InChIKeyBMTVSVAPVGTZBV-UHFFFAOYSA-N
XLogP12.25
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.89
LogP ≤ 512.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10,10,20,20-tetramethyl-7-[4-(4-naphthalen-1-yl-2-pyridinyl)-6-quinolin-8-yl-2-pyridinyl]-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,10,20,20-tetramethyl-7-[4-(4-naphthalen-1-yl-2-pyridinyl)-6-quinolin-8-yl-2-pyridinyl]-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene?
The IUPAC name of 10,10,20,20-tetramethyl-7-[4-(4-naphthalen-1-yl-2-pyridinyl)-6-quinolin-8-yl-2-pyridinyl]-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene (CID 118652378) is 10,10,20,20-tetramethyl-7-[4-(4-naphthalen-1-yl-2-pyridinyl)-6-quinolin-8-yl-2-pyridinyl]-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene.
What is the SMILES notation for 10,10,20,20-tetramethyl-7-[4-(4-naphthalen-1-yl-2-pyridinyl)-6-quinolin-8-yl-2-pyridinyl]-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene?
The canonical SMILES for 10,10,20,20-tetramethyl-7-[4-(4-naphthalen-1-yl-2-pyridinyl)-6-quinolin-8-yl-2-pyridinyl]-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene is CC1(C)c2cc3c(cc2-c2ncccc21)C(C)(C)c1cc(-c2cc(-c4cc(-c5cccc6ccccc56)ccn4)cc(-c4cccc5cccnc45)n2)cnc1-3.
What is the InChIKey of 10,10,20,20-tetramethyl-7-[4-(4-naphthalen-1-yl-2-pyridinyl)-6-quinolin-8-yl-2-pyridinyl]-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene?
The InChIKey is BMTVSVAPVGTZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N5/c1-50(2)40-18-10-21-54-48(40)38-27-42-39(28-41(38)50)49-43(51(42,3)4)23-34(29-55-49)45-25-33(26-46(56-45)37-17-8-13-31-14-9-20-53-47(31)37)44-24-32(19-22-52-44)36-16-7-12-30-11-5-6-15-35(30)36/h5-29H,1-4H3.
What are the key properties of 10,10,20,20-tetramethyl-7-[4-(4-naphthalen-1-yl-2-pyridinyl)-6-quinolin-8-yl-2-pyridinyl]-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene?
10,10,20,20-tetramethyl-7-[4-(4-naphthalen-1-yl-2-pyridinyl)-6-quinolin-8-yl-2-pyridinyl]-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene has a molecular weight of 719.89 g/mol, XLogP of 12.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,20,20-tetramethyl-7-[4-(4-naphthalen-1-yl-2-pyridinyl)-6-quinolin-8-yl-2-pyridinyl]-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene is sourced from PubChem (CID 118652378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).