2-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole;24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-12,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

C259H168N16O3 — CID 158636344

About 2-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole;24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-12,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

2-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole;24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-12,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene (PubChem CID 158636344) has the molecular formula C259H168N16O3 and a molecular weight of 3552.30 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole;24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-12,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole;24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-12,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
• PubChem CID: 158636344
• Molecular Formula: C259H168N16O3
• Molecular Weight: 3552.30 g/mol
• Exact Mass: 3549.35
• IUPAC Name: 2-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole;24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-12,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
• SMILES: Cc1cc(C)c(-c2ccc3c(c2)c2ccc(-n4c5ccccc5c5ccccc54)cc2n3-c2c(-c3ccccc3)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2)c(C)c1.c1ccc(-c2cc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5c4ccc4c6ccc7c(c8ccccc8n7-c7ccccc7)c6n(-c6ccccc6)c45)c(-c4ccccc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5c6oc7c(ccc8c7c7ccccc7n8-c7ccccc7)c6ccc54)c(-c4ccccc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5c6oc7c(ccc8c9ccccc9oc87)c6ccc54)c(-c4ccccc4)c3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C70H45N5.C67H48N4.C64H40N4O.C58H35N3O2/c1-7-23-46(24-8-1)57-43-50(60-45-59(48-27-11-3-12-28-48)71-70(72-60)49-29-13-4-14-30-49)44-58(47-25-9-2-10-26-47)67(57)75-62-38-22-20-36-56(62)66-64(75)42-40-54-53-39-41-63-65(68(53)74(69(54)66)52-33-17-6-18-34-52)55-35-19-21-37-61(55)73(63)51-31-15-5-16-32-51;1-43-36-44(2)65(45(3)37-43)50-32-35-63-58(38-50)55-34-33-52(70-61-30-18-16-28-53(61)54-29-17-19-31-62(54)70)41-64(55)71(63)66-56(46-20-8-4-9-21-46)39-51(40-57(66)47-22-10-5-11-23-47)60-42-59(48-24-12-6-13-25-48)68-67(69-60)49-26-14-7-15-27-49;1-6-20-41(21-7-1)51-38-45(54-40-53(43-24-10-3-11-25-43)65-64(66-54)44-26-12-4-13-27-44)39-52(42-22-8-2-9-23-42)61(51)68-56-33-19-17-31-50(56)60-58(68)37-35-48-47-34-36-57-59(62(47)69-63(48)60)49-30-16-18-32-55(49)67(57)46-28-14-5-15-29-46;1-5-17-36(18-6-1)46-33-40(49-35-48(38-21-9-3-10-22-38)59-58(60-49)39-23-11-4-12-24-39)34-47(37-19-7-2-8-20-37)54(46)61-50-27-15-13-26-45(50)53-51(61)32-31-43-44-30-29-42-41-25-14-16-28-52(41)62-56(42)57(44)63-55(43)53/h1-45H;4-42H,1-3H3;1-40H;1-35H
• InChIKey: HZUXTCRCJLRBMM-UHFFFAOYSA-N
• XLogP: 68.31
• TPSA: 181.98 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 29
• Heavy Atoms: 278
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3552.30
LogP ≤ 5	68.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole;24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-12,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?

The IUPAC name of 2-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole;24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-12,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene (CID 158636344) is 2-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole;24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-12,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene.

What is the SMILES notation for 2-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole;24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-12,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?

The canonical SMILES for 2-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole;24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-12,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene is Cc1cc(C)c(-c2ccc3c(c2)c2ccc(-n4c5ccccc5c5ccccc54)cc2n3-c2c(-c3ccccc3)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2)c(C)c1.c1ccc(-c2cc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5c4ccc4c6ccc7c(c8ccccc8n7-c7ccccc7)c6n(-c6ccccc6)c45)c(-c4ccccc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5c6oc7c(ccc8c7c7ccccc7n8-c7ccccc7)c6ccc54)c(-c4ccccc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5c6oc7c(ccc8c9ccccc9oc87)c6ccc54)c(-c4ccccc4)c3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 2-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole;24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-12,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?

The InChIKey is HZUXTCRCJLRBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H45N5.C67H48N4.C64H40N4O.C58H35N3O2/c1-7-23-46(24-8-1)57-43-50(60-45-59(48-27-11-3-12-28-48)71-70(72-60)49-29-13-4-14-30-49)44-58(47-25-9-2-10-26-47)67(57)75-62-38-22-20-36-56(62)66-64(75)42-40-54-53-39-41-63-65(68(53)74(69(54)66)52-33-17-6-18-34-52)55-35-19-21-37-61(55)73(63)51-31-15-5-16-32-51;1-43-36-44(2)65(45(3)37-43)50-32-35-63-58(38-50)55-34-33-52(70-61-30-18-16-28-53(61)54-29-17-19-31-62(54)70)41-64(55)71(63)66-56(46-20-8-4-9-21-46)39-51(40-57(66)47-22-10-5-11-23-47)60-42-59(48-24-12-6-13-25-48)68-67(69-60)49-26-14-7-15-27-49;1-6-20-41(21-7-1)51-38-45(54-40-53(43-24-10-3-11-25-43)65-64(66-54)44-26-12-4-13-27-44)39-52(42-22-8-2-9-23-42)61(51)68-56-33-19-17-31-50(56)60-58(68)37-35-48-47-34-36-57-59(62(47)69-63(48)60)49-30-16-18-32-55(49)67(57)46-28-14-5-15-29-46;1-5-17-36(18-6-1)46-33-40(49-35-48(38-21-9-3-10-22-38)59-58(60-49)39-23-11-4-12-24-39)34-47(37-19-7-2-8-20-37)54(46)61-50-27-15-13-26-45(50)53-51(61)32-31-43-44-30-29-42-41-25-14-16-28-52(41)62-56(42)57(44)63-55(43)53/h1-45H;4-42H,1-3H3;1-40H;1-35H.

What are the key properties of 2-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole;24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-12,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?

2-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole;24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-12,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene has a molecular weight of 3552.30 g/mol, XLogP of 68.31, 29 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole;24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-12,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 158636344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).