9-[4-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]phenyl]carbazole;3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole

C156H129N5 — CID 162083574

IUPAC9-[4-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]phenyl]carbazole;3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole
SMILESC=Cc1ccc(C23CC4CC(C2)CC(c2ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc2)(C4)C3)cc1.C=Cc1ccc(C23CC4CC(C2)CC(c2ccc(-c5ccc6c(c5)c5cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc5n6-c5ccccc5)cc2)(C4)C3)cc1.C=Cc1ccc(C23CC4CC(C2)CC(c2ccc5c(c2)c2cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc2n5-c2ccccc2)(C4)C3)cc1
InChIInChI=1S/C60H48N2.C54H44N2.C42H37N/c1-2-40-17-24-47(25-18-40)59-35-41-31-42(36-59)38-60(37-41,39-59)48-26-19-43(20-27-48)44-22-29-56-53(32-44)54-33-45(23-30-57(54)61(56)49-11-5-3-6-12-49)46-21-28-52-51-15-9-10-16-55(51)62(58(52)34-46)50-13-7-4-8-14-50;1-2-36-17-21-41(22-18-36)53-31-37-27-38(32-53)34-54(33-37,35-53)42-23-26-52-48(30-42)47-29-40(20-25-51(47)56(52)44-13-7-4-8-14-44)39-19-24-50-46(28-39)45-15-9-10-16-49(45)55(50)43-11-5-3-6-12-43;1-2-29-11-17-34(18-12-29)41-24-30-23-31(25-41)27-42(26-30,28-41)35-19-13-32(14-20-35)33-15-21-36(22-16-33)43-39-9-5-3-7-37(39)38-8-4-6-10-40(38)43/h2-30,32-34,41-42H,1,31,35-39H2;2-26,28-30,37-38H,1,27,31-35H2;2-22,30-31H,1,23-28H2
InChIKeyZCQVCMYAYULNLY-UHFFFAOYSA-N
MW2073.78 g/mol
LogP40.51
Rot. Bonds18

About 9-[4-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]phenyl]carbazole;3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole

9-[4-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]phenyl]carbazole;3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole (PubChem CID 162083574) has the molecular formula C156H129N5 and a molecular weight of 2073.78 g/mol. Its IUPAC name is 9-[4-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]phenyl]carbazole;3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole.

Molecular Properties

Compound Name9-[4-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]phenyl]carbazole;3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole
PubChem CID162083574
Molecular FormulaC156H129N5
Molecular Weight2073.78 g/mol
Exact Mass2072.02
IUPAC Name9-[4-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]phenyl]carbazole;3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole
SMILESC=Cc1ccc(C23CC4CC(C2)CC(c2ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc2)(C4)C3)cc1.C=Cc1ccc(C23CC4CC(C2)CC(c2ccc(-c5ccc6c(c5)c5cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc5n6-c5ccccc5)cc2)(C4)C3)cc1.C=Cc1ccc(C23CC4CC(C2)CC(c2ccc5c(c2)c2cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc2n5-c2ccccc2)(C4)C3)cc1
InChIInChI=1S/C60H48N2.C54H44N2.C42H37N/c1-2-40-17-24-47(25-18-40)59-35-41-31-42(36-59)38-60(37-41,39-59)48-26-19-43(20-27-48)44-22-29-56-53(32-44)54-33-45(23-30-57(54)61(56)49-11-5-3-6-12-49)46-21-28-52-51-15-9-10-16-55(51)62(58(52)34-46)50-13-7-4-8-14-50;1-2-36-17-21-41(22-18-36)53-31-37-27-38(32-53)34-54(33-37,35-53)42-23-26-52-48(30-42)47-29-40(20-25-51(47)56(52)44-13-7-4-8-14-44)39-19-24-50-46(28-39)45-15-9-10-16-49(45)55(50)43-11-5-3-6-12-43;1-2-29-11-17-34(18-12-29)41-24-30-23-31(25-41)27-42(26-30,28-41)35-19-13-32(14-20-35)33-15-21-36(22-16-33)43-39-9-5-3-7-37(39)38-8-4-6-10-40(38)43/h2-30,32-34,41-42H,1,31,35-39H2;2-26,28-30,37-38H,1,27,31-35H2;2-22,30-31H,1,23-28H2
InChIKeyZCQVCMYAYULNLY-UHFFFAOYSA-N
XLogP40.51
TPSA24.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms161
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002073.78
LogP ≤ 540.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[4-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]phenyl]carbazole;3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole with MolForge

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Related Compounds

3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenylcarbazole
CID 121422322
9-[4-[3-(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole;9-[4-[4-[3-[4-(4-carbazol-9-ylphenyl)phenyl]-1-adamantyl]phenyl]phenyl]carbazole
CID 157166578
3,9-bis(4-ethenylphenyl)carbazole
CID 154999846
3-[3-(4,6-diphenylpyrimidin-2-yl)-1-adamantyl]-9-phenylcarbazole
CID 155374933
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
3-(4-chlorophenyl)-9-(4-ethenylphenyl)carbazole
CID 154697373
4-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-4-N-[4-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 137428819
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]phenyl]carbazole;3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole?
The IUPAC name of 9-[4-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]phenyl]carbazole;3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole (CID 162083574) is 9-[4-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]phenyl]carbazole;3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole.
What is the SMILES notation for 9-[4-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]phenyl]carbazole;3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole?
The canonical SMILES for 9-[4-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]phenyl]carbazole;3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole is C=Cc1ccc(C23CC4CC(C2)CC(c2ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc2)(C4)C3)cc1.C=Cc1ccc(C23CC4CC(C2)CC(c2ccc(-c5ccc6c(c5)c5cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc5n6-c5ccccc5)cc2)(C4)C3)cc1.C=Cc1ccc(C23CC4CC(C2)CC(c2ccc5c(c2)c2cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc2n5-c2ccccc2)(C4)C3)cc1.
What is the InChIKey of 9-[4-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]phenyl]carbazole;3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole?
The InChIKey is ZCQVCMYAYULNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N2.C54H44N2.C42H37N/c1-2-40-17-24-47(25-18-40)59-35-41-31-42(36-59)38-60(37-41,39-59)48-26-19-43(20-27-48)44-22-29-56-53(32-44)54-33-45(23-30-57(54)61(56)49-11-5-3-6-12-49)46-21-28-52-51-15-9-10-16-55(51)62(58(52)34-46)50-13-7-4-8-14-50;1-2-36-17-21-41(22-18-36)53-31-37-27-38(32-53)34-54(33-37,35-53)42-23-26-52-48(30-42)47-29-40(20-25-51(47)56(52)44-13-7-4-8-14-44)39-19-24-50-46(28-39)45-15-9-10-16-49(45)55(50)43-11-5-3-6-12-43;1-2-29-11-17-34(18-12-29)41-24-30-23-31(25-41)27-42(26-30,28-41)35-19-13-32(14-20-35)33-15-21-36(22-16-33)43-39-9-5-3-7-37(39)38-8-4-6-10-40(38)43/h2-30,32-34,41-42H,1,31,35-39H2;2-26,28-30,37-38H,1,27,31-35H2;2-22,30-31H,1,23-28H2.
What are the key properties of 9-[4-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]phenyl]carbazole;3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole?
9-[4-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]phenyl]carbazole;3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole has a molecular weight of 2073.78 g/mol, XLogP of 40.51, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]phenyl]carbazole;3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole is sourced from PubChem (CID 162083574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).