sodium;2-chloro-4-naphthalen-2-ylquinazoline;deuterio(fluoro)methane;hydride;9-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-naphthalen-2-yl-14-(4-naphthalen-2-ylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C93H61ClFN8Na — CID 158089566

IUPACsodium;2-chloro-4-naphthalen-2-ylquinazoline;deuterio(fluoro)methane;hydride;9-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-naphthalen-2-yl-14-(4-naphthalen-2-ylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESClc1nc(-c2ccc3ccccc3c2)c2ccccc2n1.[2H]CF.[H-].[Na+].c1ccc2cc(-c3nc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc8ccccc8c7)c6ccc54)nc4ccccc34)ccc2c1.c1ccc2cc(-n3c4ccccc4c4c5c(ccc43)[nH]c3ccccc35)ccc2c1
InChIInChI=1S/C46H28N4.C28H18N2.C18H11ClN2.CH3F.Na.H/c1-3-13-31-27-33(22-21-29(31)11-1)45-35-15-5-8-18-38(35)47-46(48-45)50-40-20-10-7-17-37(40)44-42(50)26-25-41-43(44)36-16-6-9-19-39(36)49(41)34-24-23-30-12-2-4-14-32(30)28-34;1-2-8-19-17-20(14-13-18(19)7-1)30-25-12-6-4-10-22(25)28-26(30)16-15-24-27(28)21-9-3-5-11-23(21)29-24;19-18-20-16-8-4-3-7-15(16)17(21-18)14-10-9-12-5-1-2-6-13(12)11-14;1-2;;/h1-28H;1-17,29H;1-11H;1H3;;/q;;;;+1;-1/i;;;1D;;
InChIKeyKXMSJIVDPAFXEK-DLWAKCFRSA-N
MW1369.01 g/mol
LogP22.17
Rot. Bonds5

About sodium;2-chloro-4-naphthalen-2-ylquinazoline;deuterio(fluoro)methane;hydride;9-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-naphthalen-2-yl-14-(4-naphthalen-2-ylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

sodium;2-chloro-4-naphthalen-2-ylquinazoline;deuterio(fluoro)methane;hydride;9-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-naphthalen-2-yl-14-(4-naphthalen-2-ylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 158089566) has the molecular formula C93H61ClFN8Na and a molecular weight of 1369.01 g/mol. Its IUPAC name is sodium;2-chloro-4-naphthalen-2-ylquinazoline;deuterio(fluoro)methane;hydride;9-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-naphthalen-2-yl-14-(4-naphthalen-2-ylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Namesodium;2-chloro-4-naphthalen-2-ylquinazoline;deuterio(fluoro)methane;hydride;9-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-naphthalen-2-yl-14-(4-naphthalen-2-ylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID158089566
Molecular FormulaC93H61ClFN8Na
Molecular Weight1369.01 g/mol
Exact Mass1367.47
IUPAC Namesodium;2-chloro-4-naphthalen-2-ylquinazoline;deuterio(fluoro)methane;hydride;9-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-naphthalen-2-yl-14-(4-naphthalen-2-ylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESClc1nc(-c2ccc3ccccc3c2)c2ccccc2n1.[2H]CF.[H-].[Na+].c1ccc2cc(-c3nc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc8ccccc8c7)c6ccc54)nc4ccccc34)ccc2c1.c1ccc2cc(-n3c4ccccc4c4c5c(ccc43)[nH]c3ccccc35)ccc2c1
InChIInChI=1S/C46H28N4.C28H18N2.C18H11ClN2.CH3F.Na.H/c1-3-13-31-27-33(22-21-29(31)11-1)45-35-15-5-8-18-38(35)47-46(48-45)50-40-20-10-7-17-37(40)44-42(50)26-25-41-43(44)36-16-6-9-19-39(36)49(41)34-24-23-30-12-2-4-14-32(30)28-34;1-2-8-19-17-20(14-13-18(19)7-1)30-25-12-6-4-10-22(25)28-26(30)16-15-24-27(28)21-9-3-5-11-23(21)29-24;19-18-20-16-8-4-3-7-15(16)17(21-18)14-10-9-12-5-1-2-6-13(12)11-14;1-2;;/h1-28H;1-17,29H;1-11H;1H3;;/q;;;;+1;-1/i;;;1D;;
InChIKeyKXMSJIVDPAFXEK-DLWAKCFRSA-N
XLogP22.17
TPSA82.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001369.01
LogP ≤ 522.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze sodium;2-chloro-4-naphthalen-2-ylquinazoline;deuterio(fluoro)methane;hydride;9-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-naphthalen-2-yl-14-(4-naphthalen-2-ylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Related Compounds

9-(4-naphthalen-2-ylquinazolin-2-yl)-14-[3-(4-phenylquinazolin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134509632
9-(4-methylphenyl)-14-(4-naphthalen-2-yl-7-phenylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170201969
9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481400
2-benzo[c]carbazol-7-yl-5-[4-(3,5-diphenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 146375215
2-benzo[a]carbazol-11-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole
CID 131979682
12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 71109102
2-(3-chlorophenyl)-4-phenylquinazoline;9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-[3-(4-phenylquinazolin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 159353225
3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 146375569
22-(4-naphthalen-2-ylquinazolin-2-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597968
7-(4-naphthalen-2-ylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 164784298
2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 146374838
9-(3,5-diphenylphenyl)-14-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-naphthalen-1-yl-14-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-naphthalen-2-yl-14-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4-phenylphenyl)phenyl]-14-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3-phenylphenyl)-14-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158110325

Frequently Asked Questions

What is the IUPAC name of sodium;2-chloro-4-naphthalen-2-ylquinazoline;deuterio(fluoro)methane;hydride;9-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-naphthalen-2-yl-14-(4-naphthalen-2-ylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of sodium;2-chloro-4-naphthalen-2-ylquinazoline;deuterio(fluoro)methane;hydride;9-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-naphthalen-2-yl-14-(4-naphthalen-2-ylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 158089566) is sodium;2-chloro-4-naphthalen-2-ylquinazoline;deuterio(fluoro)methane;hydride;9-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-naphthalen-2-yl-14-(4-naphthalen-2-ylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for sodium;2-chloro-4-naphthalen-2-ylquinazoline;deuterio(fluoro)methane;hydride;9-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-naphthalen-2-yl-14-(4-naphthalen-2-ylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for sodium;2-chloro-4-naphthalen-2-ylquinazoline;deuterio(fluoro)methane;hydride;9-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-naphthalen-2-yl-14-(4-naphthalen-2-ylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is Clc1nc(-c2ccc3ccccc3c2)c2ccccc2n1.[2H]CF.[H-].[Na+].c1ccc2cc(-c3nc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc8ccccc8c7)c6ccc54)nc4ccccc34)ccc2c1.c1ccc2cc(-n3c4ccccc4c4c5c(ccc43)[nH]c3ccccc35)ccc2c1.
What is the InChIKey of sodium;2-chloro-4-naphthalen-2-ylquinazoline;deuterio(fluoro)methane;hydride;9-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-naphthalen-2-yl-14-(4-naphthalen-2-ylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is KXMSJIVDPAFXEK-DLWAKCFRSA-N. The full InChI is InChI=1S/C46H28N4.C28H18N2.C18H11ClN2.CH3F.Na.H/c1-3-13-31-27-33(22-21-29(31)11-1)45-35-15-5-8-18-38(35)47-46(48-45)50-40-20-10-7-17-37(40)44-42(50)26-25-41-43(44)36-16-6-9-19-39(36)49(41)34-24-23-30-12-2-4-14-32(30)28-34;1-2-8-19-17-20(14-13-18(19)7-1)30-25-12-6-4-10-22(25)28-26(30)16-15-24-27(28)21-9-3-5-11-23(21)29-24;19-18-20-16-8-4-3-7-15(16)17(21-18)14-10-9-12-5-1-2-6-13(12)11-14;1-2;;/h1-28H;1-17,29H;1-11H;1H3;;/q;;;;+1;-1/i;;;1D;;.
What are the key properties of sodium;2-chloro-4-naphthalen-2-ylquinazoline;deuterio(fluoro)methane;hydride;9-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-naphthalen-2-yl-14-(4-naphthalen-2-ylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
sodium;2-chloro-4-naphthalen-2-ylquinazoline;deuterio(fluoro)methane;hydride;9-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-naphthalen-2-yl-14-(4-naphthalen-2-ylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 1369.01 g/mol, XLogP of 22.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-chloro-4-naphthalen-2-ylquinazoline;deuterio(fluoro)methane;hydride;9-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-naphthalen-2-yl-14-(4-naphthalen-2-ylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 158089566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).