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

C104H84N4 — CID 157166578

IUPAC9-[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
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(C34CC5CC(C3)CC(c3ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc3)(C5)C4)cc2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(C23CC4CC(C2)CC(c2ccc(-n5c6ccccc6c6ccccc65)cc2)(C4)C3)cc1
InChIInChI=1S/C58H46N2.C46H38N2/c1-5-13-53-49(9-1)50-10-2-6-14-54(50)59(53)47-29-21-43(22-30-47)41-17-25-45(26-18-41)57-34-39-33-40(35-57)37-58(36-39,38-57)46-27-19-42(20-28-46)44-23-31-48(32-24-44)60-55-15-7-3-11-51(55)52-12-4-8-16-56(52)60;1-5-13-41-37(9-1)38-10-2-6-14-42(38)47(41)35-21-17-33(18-22-35)45-26-31-25-32(27-45)29-46(28-31,30-45)34-19-23-36(24-20-34)48-43-15-7-3-11-39(43)40-12-4-8-16-44(40)48/h1-32,39-40H,33-38H2;1-24,31-32H,25-30H2
InChIKeyAMZFIIZRAQKFSO-UHFFFAOYSA-N
MW1389.84 g/mol
LogP26.67
Rot. Bonds10

About 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

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 (PubChem CID 157166578) has the molecular formula C104H84N4 and a molecular weight of 1389.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID157166578
Molecular FormulaC104H84N4
Molecular Weight1389.84 g/mol
Exact Mass1388.67
IUPAC Name9-[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
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(C34CC5CC(C3)CC(c3ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc3)(C5)C4)cc2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(C23CC4CC(C2)CC(c2ccc(-n5c6ccccc6c6ccccc65)cc2)(C4)C3)cc1
InChIInChI=1S/C58H46N2.C46H38N2/c1-5-13-53-49(9-1)50-10-2-6-14-54(50)59(53)47-29-21-43(22-30-47)41-17-25-45(26-18-41)57-34-39-33-40(35-57)37-58(36-39,38-57)46-27-19-42(20-28-46)44-23-31-48(32-24-44)60-55-15-7-3-11-51(55)52-12-4-8-16-56(52)60;1-5-13-41-37(9-1)38-10-2-6-14-42(38)47(41)35-21-17-33(18-22-35)45-26-31-25-32(27-45)29-46(28-31,30-45)34-19-23-36(24-20-34)48-43-15-7-3-11-39(43)40-12-4-8-16-44(40)48/h1-32,39-40H,33-38H2;1-24,31-32H,25-30H2
InChIKeyAMZFIIZRAQKFSO-UHFFFAOYSA-N
XLogP26.67
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001389.84
LogP ≤ 526.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

9-[4-[3,5-bis(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole
CID 141391404
9-[4-[3,5,7-tris(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole
CID 102429669
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
9-[4-[4-(1-adamantyl)phenyl]phenyl]-3-tert-butylcarbazole
CID 168808571
3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenylcarbazole
CID 121422322
3-[3-(4,6-diphenylpyrimidin-2-yl)-1-adamantyl]-9-phenylcarbazole
CID 155374933
9-[4-(1-adamantyl)phenyl]-2-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 169054706
3-[3-(2,6-dipyridin-3-yl-4-pyridinyl)-1-adamantyl]-9-phenylcarbazole
CID 155374966
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
2-[4-[4-(1-adamantyl)phenyl]-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 169054901
9-[4-[4-(1-adamantyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 171574370

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(C34CC5CC(C3)CC(c3ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc3)(C5)C4)cc2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(C23CC4CC(C2)CC(c2ccc(-n5c6ccccc6c6ccccc65)cc2)(C4)C3)cc1.
What is the InChIKey of 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?
The InChIKey is AMZFIIZRAQKFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N2.C46H38N2/c1-5-13-53-49(9-1)50-10-2-6-14-54(50)59(53)47-29-21-43(22-30-47)41-17-25-45(26-18-41)57-34-39-33-40(35-57)37-58(36-39,38-57)46-27-19-42(20-28-46)44-23-31-48(32-24-44)60-55-15-7-3-11-51(55)52-12-4-8-16-56(52)60;1-5-13-41-37(9-1)38-10-2-6-14-42(38)47(41)35-21-17-33(18-22-35)45-26-31-25-32(27-45)29-46(28-31,30-45)34-19-23-36(24-20-34)48-43-15-7-3-11-39(43)40-12-4-8-16-44(40)48/h1-32,39-40H,33-38H2;1-24,31-32H,25-30H2.
What are the key properties of 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?
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 has a molecular weight of 1389.84 g/mol, XLogP of 26.67, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157166578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).