3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole

C144H96N6 — CID 160580937

IUPAC3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4cccc(-c5ccccc5)c43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccccc5)ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/3C48H32N2/c1-4-13-33(14-5-1)35-17-12-20-40(29-35)50-45-22-11-10-21-41(45)42-31-37(24-27-46(42)50)38-25-28-48-44(32-38)43-30-36(34-15-6-2-7-16-34)23-26-47(43)49(48)39-18-8-3-9-19-39;1-4-13-33(14-5-1)34-23-27-39(28-24-34)50-47-30-26-37(32-44(47)42-21-12-20-40(48(42)50)35-15-6-2-7-16-35)36-25-29-46-43(31-36)41-19-10-11-22-45(41)49(46)38-17-8-3-9-18-38;1-4-12-33(13-5-1)35-20-25-40(26-21-35)50-45-19-11-10-18-41(45)42-31-37(23-28-46(42)50)38-24-29-48-44(32-38)43-30-36(34-14-6-2-7-15-34)22-27-47(43)49(48)39-16-8-3-9-17-39/h3*1-32H
InChIKeyRBTSTUMBPQNSLC-UHFFFAOYSA-N
MW1910.39 g/mol
LogP38.65
Rot. Bonds15

About 3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole

3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole (PubChem CID 160580937) has the molecular formula C144H96N6 and a molecular weight of 1910.39 g/mol. Its IUPAC name is 3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
PubChem CID160580937
Molecular FormulaC144H96N6
Molecular Weight1910.39 g/mol
Exact Mass1908.77
IUPAC Name3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4cccc(-c5ccccc5)c43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccccc5)ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/3C48H32N2/c1-4-13-33(14-5-1)35-17-12-20-40(29-35)50-45-22-11-10-21-41(45)42-31-37(24-27-46(42)50)38-25-28-48-44(32-38)43-30-36(34-15-6-2-7-16-34)23-26-47(43)49(48)39-18-8-3-9-19-39;1-4-13-33(14-5-1)34-23-27-39(28-24-34)50-47-30-26-37(32-44(47)42-21-12-20-40(48(42)50)35-15-6-2-7-16-35)36-25-29-46-43(31-36)41-19-10-11-22-45(41)49(46)38-17-8-3-9-18-38;1-4-12-33(13-5-1)35-20-25-40(26-21-35)50-45-19-11-10-18-41(45)42-31-37(23-28-46(42)50)38-24-29-48-44(32-38)43-30-36(34-14-6-2-7-15-34)22-27-47(43)49(48)39-16-8-3-9-17-39/h3*1-32H
InChIKeyRBTSTUMBPQNSLC-UHFFFAOYSA-N
XLogP38.65
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms150
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001910.39
LogP ≤ 538.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole (CID 160580937) is 3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4cccc(-c5ccccc5)c43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccccc5)ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccccc5)ccc43)c2)cc1.
What is the InChIKey of 3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole?
The InChIKey is RBTSTUMBPQNSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C48H32N2/c1-4-13-33(14-5-1)35-17-12-20-40(29-35)50-45-22-11-10-21-41(45)42-31-37(24-27-46(42)50)38-25-28-48-44(32-38)43-30-36(34-15-6-2-7-16-34)23-26-47(43)49(48)39-18-8-3-9-19-39;1-4-13-33(14-5-1)34-23-27-39(28-24-34)50-47-30-26-37(32-44(47)42-21-12-20-40(48(42)50)35-15-6-2-7-16-35)36-25-29-46-43(31-36)41-19-10-11-22-45(41)49(46)38-17-8-3-9-18-38;1-4-12-33(13-5-1)35-20-25-40(26-21-35)50-45-19-11-10-18-41(45)42-31-37(23-28-46(42)50)38-24-29-48-44(32-38)43-30-36(34-14-6-2-7-15-34)22-27-47(43)49(48)39-16-8-3-9-17-39/h3*1-32H.
What are the key properties of 3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole?
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole has a molecular weight of 1910.39 g/mol, XLogP of 38.65, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 160580937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).