3-(4-carbazol-9-ylphenyl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;12-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15,15-dimethyl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

C134H93N11 — CID 159037595

About 3-(4-carbazol-9-ylphenyl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;12-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15,15-dimethyl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

3-(4-carbazol-9-ylphenyl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;12-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15,15-dimethyl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (PubChem CID 159037595) has the molecular formula C134H93N11 and a molecular weight of 1857.29 g/mol. Its IUPAC name is 3-(4-carbazol-9-ylphenyl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;12-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15,15-dimethyl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.

Molecular Properties

• Compound Name: 3-(4-carbazol-9-ylphenyl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;12-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15,15-dimethyl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
• PubChem CID: 159037595
• Molecular Formula: C134H93N11
• Molecular Weight: 1857.29 g/mol
• Exact Mass: 1855.76
• IUPAC Name: 3-(4-carbazol-9-ylphenyl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;12-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15,15-dimethyl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
• SMILES: CC1(C)c2ccccc2-c2c1c1c(c3ccccc23)c2ccccc2n1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.CC1(C)c2ccccc2-c2cc3c(cc21)c1cc2ccccc2cc1n3-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cn1.CC1(C)c2ccccc2-c2ccc3c4c5ccccc5ccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cn4)c3c21
• InChI: InChI=1S/C46H32N4.C45H31N5.C43H30N2/c1-46(2)38-20-12-11-19-34(38)35-26-43-37(25-39(35)46)36-23-31-17-9-10-18-32(31)24-42(36)50(43)44-22-21-33(28-47-44)45-48-40(29-13-5-3-6-14-29)27-41(49-45)30-15-7-4-8-16-30;1-45(2)36-20-12-11-19-33(36)34-23-24-35-39-32-18-10-9-13-28(32)21-25-37(39)50(41(35)40(34)45)38-26-22-31(27-46-38)44-48-42(29-14-5-3-6-15-29)47-43(49-44)30-16-7-4-8-17-30;1-43(2)35-19-9-5-17-33(35)39-31-15-3-4-16-32(31)40-34-18-8-12-22-38(34)45(42(40)41(39)43)28-25-23-27(24-26-28)44-36-20-10-6-13-29(36)30-14-7-11-21-37(30)44/h3-28H,1-2H3;3-27H,1-2H3;3-26H,1-2H3
• InChIKey: JVQMPGQBENYVGO-UHFFFAOYSA-N
• XLogP: 33.59
• TPSA: 109.95 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1857.29
LogP ≤ 5	33.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbazol-9-ylphenyl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;12-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15,15-dimethyl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?

The IUPAC name of 3-(4-carbazol-9-ylphenyl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;12-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15,15-dimethyl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (CID 159037595) is 3-(4-carbazol-9-ylphenyl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;12-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15,15-dimethyl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.

What is the SMILES notation for 3-(4-carbazol-9-ylphenyl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;12-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15,15-dimethyl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?

The canonical SMILES for 3-(4-carbazol-9-ylphenyl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;12-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15,15-dimethyl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is CC1(C)c2ccccc2-c2c1c1c(c3ccccc23)c2ccccc2n1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.CC1(C)c2ccccc2-c2cc3c(cc21)c1cc2ccccc2cc1n3-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cn1.CC1(C)c2ccccc2-c2ccc3c4c5ccccc5ccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cn4)c3c21.

What is the InChIKey of 3-(4-carbazol-9-ylphenyl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;12-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15,15-dimethyl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?

The InChIKey is JVQMPGQBENYVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4.C45H31N5.C43H30N2/c1-46(2)38-20-12-11-19-34(38)35-26-43-37(25-39(35)46)36-23-31-17-9-10-18-32(31)24-42(36)50(43)44-22-21-33(28-47-44)45-48-40(29-13-5-3-6-14-29)27-41(49-45)30-15-7-4-8-16-30;1-45(2)36-20-12-11-19-33(36)34-23-24-35-39-32-18-10-9-13-28(32)21-25-37(39)50(41(35)40(34)45)38-26-22-31(27-46-38)44-48-42(29-14-5-3-6-15-29)47-43(49-44)30-16-7-4-8-17-30;1-43(2)35-19-9-5-17-33(35)39-31-15-3-4-16-32(31)40-34-18-8-12-22-38(34)45(42(40)41(39)43)28-25-23-27(24-26-28)44-36-20-10-6-13-29(36)30-14-7-11-21-37(30)44/h3-28H,1-2H3;3-27H,1-2H3;3-26H,1-2H3.

What are the key properties of 3-(4-carbazol-9-ylphenyl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;12-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15,15-dimethyl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?

3-(4-carbazol-9-ylphenyl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;12-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15,15-dimethyl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene has a molecular weight of 1857.29 g/mol, XLogP of 33.59, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-carbazol-9-ylphenyl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;12-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-22,22-dimethyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15,15-dimethyl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 159037595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).