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]

C153H109N23O — CID 157188681

About 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]

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] (PubChem CID 157188681) has the molecular formula C153H109N23O and a molecular weight of 2285.71 g/mol. Its IUPAC name is 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].

Molecular Properties

• Compound Name: 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]
• PubChem CID: 157188681
• Molecular Formula: C153H109N23O
• Molecular Weight: 2285.71 g/mol
• Exact Mass: 2283.92
• IUPAC Name: 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]
• SMILES: CC1(C)c2ccccc2N(c2ccc3c(n2)c2ncccc2n3-c2cccnc2)c2ccccc21.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1ccc2c(c1)c1ncccc1n2-c1ncncn1.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C)ccc1N2c1ccc2c(c1)c1ncccc1n2-c1ncncn1.Cc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C)ccc1N2c1ccc2c(c1)c1ncccc1n2-c1ncncn1
• InChI: InChI=1S/C41H28N6O.C41H28N6.C41H30N6.C30H23N5/c1-25-13-16-34-31(20-25)41(29-8-3-5-11-37(29)48-38-12-6-4-9-30(38)41)32-21-26(2)14-17-35(32)46(34)27-15-18-33-28(22-27)39-36(10-7-19-43-39)47(33)40-44-23-42-24-45-40;1-25-13-16-36-33(20-25)41(31-10-5-3-8-28(31)29-9-4-6-11-32(29)41)34-21-26(2)14-17-37(34)46(36)27-15-18-35-30(22-27)39-38(12-7-19-43-39)47(35)40-44-23-42-24-45-40;1-27-15-18-36-33(22-27)41(29-10-5-3-6-11-29,30-12-7-4-8-13-30)34-23-28(2)16-19-37(34)46(36)31-17-20-35-32(24-31)39-38(14-9-21-43-39)47(35)40-44-25-42-26-45-40;1-30(2)21-10-3-5-12-23(21)35(24-13-6-4-11-22(24)30)27-16-15-26-29(33-27)28-25(14-8-18-32-28)34(26)20-9-7-17-31-19-20/h3-24H,1-2H3;3-24H,1-2H3;3-26H,1-2H3;3-19H,1-2H3
• InChIKey: APKXSGIFNTZUBX-UHFFFAOYSA-N
• XLogP: 34.60
• TPSA: 235.26 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 10
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2285.71
LogP ≤ 5	34.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 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]?

The IUPAC name of 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) is 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].

What is the SMILES notation for 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]?

The canonical SMILES for 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] is CC1(C)c2ccccc2N(c2ccc3c(n2)c2ncccc2n3-c2cccnc2)c2ccccc21.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1ccc2c(c1)c1ncccc1n2-c1ncncn1.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C)ccc1N2c1ccc2c(c1)c1ncccc1n2-c1ncncn1.Cc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C)ccc1N2c1ccc2c(c1)c1ncccc1n2-c1ncncn1.

What is the InChIKey of 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]?

The InChIKey is APKXSGIFNTZUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N6O.C41H28N6.C41H30N6.C30H23N5/c1-25-13-16-34-31(20-25)41(29-8-3-5-11-37(29)48-38-12-6-4-9-30(38)41)32-21-26(2)14-17-35(32)46(34)27-15-18-33-28(22-27)39-36(10-7-19-43-39)47(33)40-44-23-42-24-45-40;1-25-13-16-36-33(20-25)41(31-10-5-3-8-28(31)29-9-4-6-11-32(29)41)34-21-26(2)14-17-37(34)46(36)27-15-18-35-30(22-27)39-38(12-7-19-43-39)47(35)40-44-23-42-24-45-40;1-27-15-18-36-33(22-27)41(29-10-5-3-6-11-29,30-12-7-4-8-13-30)34-23-28(2)16-19-37(34)46(36)31-17-20-35-32(24-31)39-38(14-9-21-43-39)47(35)40-44-25-42-26-45-40;1-30(2)21-10-3-5-12-23(21)35(24-13-6-4-11-22(24)30)27-16-15-26-29(33-27)28-25(14-8-18-32-28)34(26)20-9-7-17-31-19-20/h3-24H,1-2H3;3-24H,1-2H3;3-26H,1-2H3;3-19H,1-2H3.

What are the key properties of 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]?

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] has a molecular weight of 2285.71 g/mol, XLogP of 34.60, 10 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 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] is sourced from PubChem (CID 157188681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).