1-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-1-yl]-6-methyl-9-phenylcarbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-triphenylen-2-ylcarbazole

C151H100N6 — CID 161419007

IUPAC1-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-1-yl]-6-methyl-9-phenylcarbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-triphenylen-2-ylcarbazole
SMILES[2H]c1ccc2c(c1)c1cccc(-c3cccc4c5cc(C)ccc5n(-c5ccccc5)c34)c1n2-c1cc(-c2ccccc2)cc(-c2ccccc2)c1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)ccc43)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)ccc32)cc1
InChIInChI=1S/C54H34N2.C49H34N2.C48H32N2/c1-2-12-39(13-3-1)55-51-20-10-8-18-46(51)49-32-37(26-30-53(49)55)35-22-24-36(25-23-35)38-27-31-54-50(33-38)47-19-9-11-21-52(47)56(54)40-28-29-45-43-16-5-4-14-41(43)42-15-6-7-17-44(42)48(45)34-40;1-33-27-28-47-45(29-33)44-25-14-24-43(49(44)50(47)38-19-9-4-10-20-38)42-23-13-22-41-40-21-11-12-26-46(40)51(48(41)42)39-31-36(34-15-5-2-6-16-34)30-37(32-39)35-17-7-3-8-18-35;1-3-12-33(13-4-1)36-14-11-17-40(30-36)50-46-21-10-8-19-42(46)44-32-38(27-29-48(44)50)35-24-22-34(23-25-35)37-26-28-47-43(31-37)41-18-7-9-20-45(41)49(47)39-15-5-2-6-16-39/h1-34H;2-32H,1H3;1-32H/i;11D;
InChIKeyVWLXNXPUINEUAG-GFZRUQOSSA-N
MW1999.51 g/mol
LogP40.75
Rot. Bonds14

About 1-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-1-yl]-6-methyl-9-phenylcarbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-triphenylen-2-ylcarbazole

1-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-1-yl]-6-methyl-9-phenylcarbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-triphenylen-2-ylcarbazole (PubChem CID 161419007) has the molecular formula C151H100N6 and a molecular weight of 1999.51 g/mol. Its IUPAC name is 1-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-1-yl]-6-methyl-9-phenylcarbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-triphenylen-2-ylcarbazole.

Molecular Properties

Compound Name1-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-1-yl]-6-methyl-9-phenylcarbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-triphenylen-2-ylcarbazole
PubChem CID161419007
Molecular FormulaC151H100N6
Molecular Weight1999.51 g/mol
Exact Mass1997.81
IUPAC Name1-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-1-yl]-6-methyl-9-phenylcarbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-triphenylen-2-ylcarbazole
SMILES[2H]c1ccc2c(c1)c1cccc(-c3cccc4c5cc(C)ccc5n(-c5ccccc5)c34)c1n2-c1cc(-c2ccccc2)cc(-c2ccccc2)c1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)ccc43)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)ccc32)cc1
InChIInChI=1S/C54H34N2.C49H34N2.C48H32N2/c1-2-12-39(13-3-1)55-51-20-10-8-18-46(51)49-32-37(26-30-53(49)55)35-22-24-36(25-23-35)38-27-31-54-50(33-38)47-19-9-11-21-52(47)56(54)40-28-29-45-43-16-5-4-14-41(43)42-15-6-7-17-44(42)48(45)34-40;1-33-27-28-47-45(29-33)44-25-14-24-43(49(44)50(47)38-19-9-4-10-20-38)42-23-13-22-41-40-21-11-12-26-46(40)51(48(41)42)39-31-36(34-15-5-2-6-16-34)30-37(32-39)35-17-7-3-8-18-35;1-3-12-33(13-4-1)36-14-11-17-40(30-36)50-46-21-10-8-19-42(46)44-32-38(27-29-48(44)50)35-24-22-34(23-25-35)37-26-28-47-43(31-37)41-18-7-9-20-45(41)49(47)39-15-5-2-6-16-39/h1-34H;2-32H,1H3;1-32H/i;11D;
InChIKeyVWLXNXPUINEUAG-GFZRUQOSSA-N
XLogP40.75
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms157
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001999.51
LogP ≤ 540.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-1-yl]-6-methyl-9-phenylcarbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-triphenylen-2-ylcarbazole with MolForge

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Related Compounds

3-deuterio-6-[6-deuterio-9-(3-phenylphenyl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;1-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-1-yl)-9-triphenylen-2-ylcarbazole;3-(9-phenylcarbazol-2-yl)-9-triphenylen-2-ylcarbazole;9-(3-phenylphenyl)-1-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159125832
3-deuterio-9-(3,5-diphenylphenyl)-6-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]carbazole
CID 157215677
3-[9-(3,5-diphenylphenyl)carbazol-1-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-1-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159712744
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 164968359
3-carbazol-9-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole;12-(3,5-diphenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159378561
1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590389
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,9-diphenylcarbazole
CID 170072372
6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170365229
methane;9-phenyl-1-(2-triphenylen-2-ylphenyl)carbazole;9-phenyl-2-(4-triphenylen-2-ylphenyl)carbazole;9-phenyl-3-(4-triphenylen-2-ylphenyl)carbazole;9-(3-phenyl-5-triphenylen-2-ylphenyl)carbazole;9-phenyl-4-(2-triphenylen-2-ylphenyl)carbazole;9-phenyl-4-(4-triphenylen-2-ylphenyl)carbazole;9-(3-triphenylen-2-ylphenyl)carbazole;9-(4-triphenylen-2-ylphenyl)carbazole
CID 158834155
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
3-deuterio-6-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 153283225
6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole
CID 118330173

Frequently Asked Questions

What is the IUPAC name of 1-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-1-yl]-6-methyl-9-phenylcarbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-triphenylen-2-ylcarbazole?
The IUPAC name of 1-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-1-yl]-6-methyl-9-phenylcarbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-triphenylen-2-ylcarbazole (CID 161419007) is 1-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-1-yl]-6-methyl-9-phenylcarbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-triphenylen-2-ylcarbazole.
What is the SMILES notation for 1-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-1-yl]-6-methyl-9-phenylcarbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-triphenylen-2-ylcarbazole?
The canonical SMILES for 1-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-1-yl]-6-methyl-9-phenylcarbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-triphenylen-2-ylcarbazole is [2H]c1ccc2c(c1)c1cccc(-c3cccc4c5cc(C)ccc5n(-c5ccccc5)c34)c1n2-c1cc(-c2ccccc2)cc(-c2ccccc2)c1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)ccc43)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)ccc32)cc1.
What is the InChIKey of 1-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-1-yl]-6-methyl-9-phenylcarbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-triphenylen-2-ylcarbazole?
The InChIKey is VWLXNXPUINEUAG-GFZRUQOSSA-N. The full InChI is InChI=1S/C54H34N2.C49H34N2.C48H32N2/c1-2-12-39(13-3-1)55-51-20-10-8-18-46(51)49-32-37(26-30-53(49)55)35-22-24-36(25-23-35)38-27-31-54-50(33-38)47-19-9-11-21-52(47)56(54)40-28-29-45-43-16-5-4-14-41(43)42-15-6-7-17-44(42)48(45)34-40;1-33-27-28-47-45(29-33)44-25-14-24-43(49(44)50(47)38-19-9-4-10-20-38)42-23-13-22-41-40-21-11-12-26-46(40)51(48(41)42)39-31-36(34-15-5-2-6-16-34)30-37(32-39)35-17-7-3-8-18-35;1-3-12-33(13-4-1)36-14-11-17-40(30-36)50-46-21-10-8-19-42(46)44-32-38(27-29-48(44)50)35-24-22-34(23-25-35)37-26-28-47-43(31-37)41-18-7-9-20-45(41)49(47)39-15-5-2-6-16-39/h1-34H;2-32H,1H3;1-32H/i;11D;.
What are the key properties of 1-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-1-yl]-6-methyl-9-phenylcarbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-triphenylen-2-ylcarbazole?
1-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-1-yl]-6-methyl-9-phenylcarbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-triphenylen-2-ylcarbazole has a molecular weight of 1999.51 g/mol, XLogP of 40.75, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-1-yl]-6-methyl-9-phenylcarbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-triphenylen-2-ylcarbazole is sourced from PubChem (CID 161419007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).