10-phenyl-10'-(8-pyridin-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)-9,9'-spirobi[acridine]

C46H30N6 — CID 139574637

IUPAC10-phenyl-10'-(8-pyridin-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)-9,9'-spirobi[acridine]
SMILESc1ccc(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2ccc4c(n2)c2ncccc2n4-c2cccnc2)c2ccccc23)cc1
InChIInChI=1S/C46H30N6/c1-2-14-31(15-3-1)50-37-21-8-4-17-33(37)46(34-18-5-9-22-38(34)50)35-19-6-10-23-39(35)52(40-24-11-7-20-36(40)46)43-27-26-42-45(49-43)44-41(25-13-29-48-44)51(42)32-16-12-28-47-30-32/h1-30H
InChIKeyLUNSURMJZMQBGN-UHFFFAOYSA-N
MW666.79 g/mol
LogP10.92
Rot. Bonds3

About 10-phenyl-10'-(8-pyridin-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)-9,9'-spirobi[acridine]

10-phenyl-10'-(8-pyridin-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)-9,9'-spirobi[acridine] (PubChem CID 139574637) has the molecular formula C46H30N6 and a molecular weight of 666.79 g/mol. Its IUPAC name is 10-phenyl-10'-(8-pyridin-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)-9,9'-spirobi[acridine].

Molecular Properties

Compound Name10-phenyl-10'-(8-pyridin-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)-9,9'-spirobi[acridine]
PubChem CID139574637
Molecular FormulaC46H30N6
Molecular Weight666.79 g/mol
Exact Mass666.25
IUPAC Name10-phenyl-10'-(8-pyridin-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)-9,9'-spirobi[acridine]
SMILESc1ccc(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2ccc4c(n2)c2ncccc2n4-c2cccnc2)c2ccccc23)cc1
InChIInChI=1S/C46H30N6/c1-2-14-31(15-3-1)50-37-21-8-4-17-33(37)46(34-18-5-9-22-38(34)50)35-19-6-10-23-39(35)52(40-24-11-7-20-36(40)46)43-27-26-42-45(49-43)44-41(25-13-29-48-44)51(42)32-16-12-28-47-30-32/h1-30H
InChIKeyLUNSURMJZMQBGN-UHFFFAOYSA-N
XLogP10.92
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.79
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-phenyl-10'-(8-pyridin-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)-9,9'-spirobi[acridine] with MolForge

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Related Compounds

10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-fluorene]
CID 138641297
10-phenyl-10'-(5-pyridin-4-ylpyrido[3,2-b]indol-8-yl)-9,9'-spirobi[acridine]
CID 139574635
2,7-dimethyl-9,9-diphenyl-10-[5-(1,3,5-triazin-2-yl)pyrido[3,2-b]indol-8-yl]acridine;9,9-dimethyl-10-(8-pyridin-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)acridine;2,7-dimethyl-10-[5-(1,3,5-triazin-2-yl)pyrido[3,2-b]indol-8-yl]spiro[acridine-9,9'-fluorene];2,7-dimethyl-10-[5-(1,3,5-triazin-2-yl)pyrido[3,2-b]indol-8-yl]spiro[acridine-9,9'-xanthene]
CID 157188681
9,9-diphenyl-10-(5-pyrido[3,2-b]indol-5-yl-2-pyridinyl)acridine
CID 138641305
9,9-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-7-yl)acridine
CID 138641354
CID 137451109
CID 137451109
5-pyridin-3-ylpyrido[3,2-b]indole
CID 59459758
10-phenyl-10'-[3-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[acridine]
CID 139575024
4-methyl-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58704078
5-phenyl-5'-(5-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline]
CID 159513500
10-phenyl-9,9-dipyridin-2-ylacridine
CID 58029185
10-phenylspiro[acridine-9,5'-pyrido[4,3-g]isoquinoline]-10'-one
CID 159430495

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-10'-(8-pyridin-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)-9,9'-spirobi[acridine]?
The IUPAC name of 10-phenyl-10'-(8-pyridin-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)-9,9'-spirobi[acridine] (CID 139574637) is 10-phenyl-10'-(8-pyridin-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)-9,9'-spirobi[acridine].
What is the SMILES notation for 10-phenyl-10'-(8-pyridin-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)-9,9'-spirobi[acridine]?
The canonical SMILES for 10-phenyl-10'-(8-pyridin-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)-9,9'-spirobi[acridine] is c1ccc(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2ccc4c(n2)c2ncccc2n4-c2cccnc2)c2ccccc23)cc1.
What is the InChIKey of 10-phenyl-10'-(8-pyridin-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)-9,9'-spirobi[acridine]?
The InChIKey is LUNSURMJZMQBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N6/c1-2-14-31(15-3-1)50-37-21-8-4-17-33(37)46(34-18-5-9-22-38(34)50)35-19-6-10-23-39(35)52(40-24-11-7-20-36(40)46)43-27-26-42-45(49-43)44-41(25-13-29-48-44)51(42)32-16-12-28-47-30-32/h1-30H.
What are the key properties of 10-phenyl-10'-(8-pyridin-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)-9,9'-spirobi[acridine]?
10-phenyl-10'-(8-pyridin-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)-9,9'-spirobi[acridine] has a molecular weight of 666.79 g/mol, XLogP of 10.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-10'-(8-pyridin-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)-9,9'-spirobi[acridine] is sourced from PubChem (CID 139574637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).