3-[9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-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;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-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;4-(9-phenylcarbazol-4-yl)-9-(4-phenyldibenzothiophen-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

C301H189N19S4 — CID 164948151

About 3-[9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-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;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-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;4-(9-phenylcarbazol-4-yl)-9-(4-phenyldibenzothiophen-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

3-[9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-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;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-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;4-(9-phenylcarbazol-4-yl)-9-(4-phenyldibenzothiophen-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 164948151) has the molecular formula C301H189N19S4 and a molecular weight of 4201.23 g/mol. Its IUPAC name is 3-[9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-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;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-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;4-(9-phenylcarbazol-4-yl)-9-(4-phenyldibenzothiophen-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 3-[9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-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;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-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;4-(9-phenylcarbazol-4-yl)-9-(4-phenyldibenzothiophen-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• PubChem CID: 164948151
• Molecular Formula: C301H189N19S4
• Molecular Weight: 4201.23 g/mol
• Exact Mass: 4197.43
• IUPAC Name: 3-[9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-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;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-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;4-(9-phenylcarbazol-4-yl)-9-(4-phenyldibenzothiophen-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• SMILES: [2H]c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)cc2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)cc3c2sc2ccccc23)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)nc3c2ccc2ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)nc3c2sc2ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc32)cc1
• InChI: InChI=1S/C48H30N2S.C48H32N2.C45H29N5.C42H28N2.C40H23N3S.C40H26N2.C38H21N3S2/c1-3-15-31(16-4-1)39-29-33(30-40-34-19-9-12-28-45(34)51-48(39)40)50-42-25-11-8-21-38(42)47-36(23-14-27-44(47)50)35-22-13-26-43-46(35)37-20-7-10-24-41(37)49(43)32-17-5-2-6-18-32;1-3-12-33(13-4-1)35-22-26-39(27-23-35)49-45-20-9-7-18-41(45)43-31-37(24-28-47(43)49)38-25-29-48-44(32-38)42-19-8-10-21-46(42)50(48)40-17-11-16-36(30-40)34-14-5-2-6-15-34;1-4-14-30(15-5-1)31-24-26-33(27-25-31)44-46-43(32-16-6-2-7-17-32)47-45(48-44)50-40-23-13-11-21-36(40)38-29-28-37-35-20-10-12-22-39(35)49(41(37)42(38)50)34-18-8-3-9-19-34;1-3-11-29(12-4-1)30-19-23-34(24-20-30)44-40-18-10-8-16-36(40)38-28-32(22-26-42(38)44)31-21-25-41-37(27-31)35-15-7-9-17-39(35)43(41)33-13-5-2-6-14-33;1-2-13-25(14-3-1)36-31-23-22-24-12-4-5-15-26(24)37(31)42-40(41-36)43-32-20-10-8-18-29(32)34-27-16-6-7-17-28(27)35-30-19-9-11-21-33(30)44-39(35)38(34)43;1-2-12-31(13-3-1)41-37-16-8-6-14-33(37)35-25-29(19-22-39(35)41)30-20-23-40-36(26-30)34-15-7-9-17-38(34)42(40)32-21-18-27-10-4-5-11-28(27)24-32;1-2-12-22(13-3-1)33-37-34(27-18-8-11-21-30(27)43-37)40-38(39-33)41-28-19-9-6-16-25(28)31-23-14-4-5-15-24(23)32-26-17-7-10-20-29(26)42-36(32)35(31)41/h1-30H;1-32H;1-29H;1-28H;1-23H;1-26H;1-21H/i;1D
• InChIKey: ADWDTGSNNCYKPA-CZBSRQLTSA-N
• XLogP: 81.64
• TPSA: 149.39 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 25
• Heavy Atoms: 324
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4201.23
LogP ≤ 5	81.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-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;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-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;4-(9-phenylcarbazol-4-yl)-9-(4-phenyldibenzothiophen-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The IUPAC name of 3-[9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-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;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-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;4-(9-phenylcarbazol-4-yl)-9-(4-phenyldibenzothiophen-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 164948151) is 3-[9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-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;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-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;4-(9-phenylcarbazol-4-yl)-9-(4-phenyldibenzothiophen-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

What is the SMILES notation for 3-[9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-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;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-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;4-(9-phenylcarbazol-4-yl)-9-(4-phenyldibenzothiophen-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The canonical SMILES for 3-[9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-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;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-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;4-(9-phenylcarbazol-4-yl)-9-(4-phenyldibenzothiophen-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is [2H]c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)cc2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)cc3c2sc2ccccc23)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)nc3c2ccc2ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)nc3c2sc2ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc32)cc1.

What is the InChIKey of 3-[9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-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;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-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;4-(9-phenylcarbazol-4-yl)-9-(4-phenyldibenzothiophen-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The InChIKey is ADWDTGSNNCYKPA-CZBSRQLTSA-N. The full InChI is InChI=1S/C48H30N2S.C48H32N2.C45H29N5.C42H28N2.C40H23N3S.C40H26N2.C38H21N3S2/c1-3-15-31(16-4-1)39-29-33(30-40-34-19-9-12-28-45(34)51-48(39)40)50-42-25-11-8-21-38(42)47-36(23-14-27-44(47)50)35-22-13-26-43-46(35)37-20-7-10-24-41(37)49(43)32-17-5-2-6-18-32;1-3-12-33(13-4-1)35-22-26-39(27-23-35)49-45-20-9-7-18-41(45)43-31-37(24-28-47(43)49)38-25-29-48-44(32-38)42-19-8-10-21-46(42)50(48)40-17-11-16-36(30-40)34-14-5-2-6-15-34;1-4-14-30(15-5-1)31-24-26-33(27-25-31)44-46-43(32-16-6-2-7-17-32)47-45(48-44)50-40-23-13-11-21-36(40)38-29-28-37-35-20-10-12-22-39(35)49(41(37)42(38)50)34-18-8-3-9-19-34;1-3-11-29(12-4-1)30-19-23-34(24-20-30)44-40-18-10-8-16-36(40)38-28-32(22-26-42(38)44)31-21-25-41-37(27-31)35-15-7-9-17-39(35)43(41)33-13-5-2-6-14-33;1-2-13-25(14-3-1)36-31-23-22-24-12-4-5-15-26(24)37(31)42-40(41-36)43-32-20-10-8-18-29(32)34-27-16-6-7-17-28(27)35-30-19-9-11-21-33(30)44-39(35)38(34)43;1-2-12-31(13-3-1)41-37-16-8-6-14-33(37)35-25-29(19-22-39(35)41)30-20-23-40-36(26-30)34-15-7-9-17-38(34)42(40)32-21-18-27-10-4-5-11-28(27)24-32;1-2-12-22(13-3-1)33-37-34(27-18-8-11-21-30(27)43-37)40-38(39-33)41-28-19-9-6-16-25(28)31-23-14-4-5-15-24(23)32-26-17-7-10-20-29(26)42-36(32)35(31)41/h1-30H;1-32H;1-29H;1-28H;1-23H;1-26H;1-21H/i;1D;;;;;.

What are the key properties of 3-[9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-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;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-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;4-(9-phenylcarbazol-4-yl)-9-(4-phenyldibenzothiophen-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

3-[9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-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;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-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;4-(9-phenylcarbazol-4-yl)-9-(4-phenyldibenzothiophen-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole has a molecular weight of 4201.23 g/mol, XLogP of 81.64, 25 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-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;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-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;4-(9-phenylcarbazol-4-yl)-9-(4-phenyldibenzothiophen-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 164948151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).