3-iodo-9-phenylcarbazole;methane;4-methylaniline;N-(4-methylphenyl)-9-phenylcarbazol-3-amine;N-(4-methylphenyl)-9-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine

C106H87IN6Si — CID 157464119

About 3-iodo-9-phenylcarbazole;methane;4-methylaniline;N-(4-methylphenyl)-9-phenylcarbazol-3-amine;N-(4-methylphenyl)-9-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine

3-iodo-9-phenylcarbazole;methane;4-methylaniline;N-(4-methylphenyl)-9-phenylcarbazol-3-amine;N-(4-methylphenyl)-9-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine (PubChem CID 157464119) has the molecular formula C106H87IN6Si and a molecular weight of 1599.89 g/mol. Its IUPAC name is 3-iodo-9-phenylcarbazole;methane;4-methylaniline;N-(4-methylphenyl)-9-phenylcarbazol-3-amine;N-(4-methylphenyl)-9-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine.

Molecular Properties

• Compound Name: 3-iodo-9-phenylcarbazole;methane;4-methylaniline;N-(4-methylphenyl)-9-phenylcarbazol-3-amine;N-(4-methylphenyl)-9-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine
• PubChem CID: 157464119
• Molecular Formula: C106H87IN6Si
• Molecular Weight: 1599.89 g/mol
• Exact Mass: 1598.58
• IUPAC Name: 3-iodo-9-phenylcarbazole;methane;4-methylaniline;N-(4-methylphenyl)-9-phenylcarbazol-3-amine;N-(4-methylphenyl)-9-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine
• SMILES: C.Cc1ccc(N(c2ccc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.Cc1ccc(N)cc1.Cc1ccc(Nc2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.Ic1ccc2c(c1)c1ccccc1n2-c1ccccc1
• InChI: InChI=1S/C55H42N2Si.C25H20N2.C18H12IN.C7H9N.CH4/c1-41-26-32-45(33-27-41)56(47-36-39-55-53(40-47)52-24-14-15-25-54(52)57(55)44-16-6-2-7-17-44)46-34-28-42(29-35-46)43-30-37-51(38-31-43)58(48-18-8-3-9-19-48,49-20-10-4-11-21-49)50-22-12-5-13-23-50;1-18-11-13-19(14-12-18)26-20-15-16-25-23(17-20)22-9-5-6-10-24(22)27(25)21-7-3-2-4-8-21;19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14;1-6-2-4-7(8)5-3-6;/h2-40H,1H3;2-17,26H,1H3;1-12H;2-5H,8H2,1H3;1H4
• InChIKey: BUGRQGRXHSNKIV-UHFFFAOYSA-N
• XLogP: 26.04
• TPSA: 56.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1599.89
LogP ≤ 5	26.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-iodo-9-phenylcarbazole;methane;4-methylaniline;N-(4-methylphenyl)-9-phenylcarbazol-3-amine;N-(4-methylphenyl)-9-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine?

The IUPAC name of 3-iodo-9-phenylcarbazole;methane;4-methylaniline;N-(4-methylphenyl)-9-phenylcarbazol-3-amine;N-(4-methylphenyl)-9-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine (CID 157464119) is 3-iodo-9-phenylcarbazole;methane;4-methylaniline;N-(4-methylphenyl)-9-phenylcarbazol-3-amine;N-(4-methylphenyl)-9-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine.

What is the SMILES notation for 3-iodo-9-phenylcarbazole;methane;4-methylaniline;N-(4-methylphenyl)-9-phenylcarbazol-3-amine;N-(4-methylphenyl)-9-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine?

The canonical SMILES for 3-iodo-9-phenylcarbazole;methane;4-methylaniline;N-(4-methylphenyl)-9-phenylcarbazol-3-amine;N-(4-methylphenyl)-9-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine is C.Cc1ccc(N(c2ccc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.Cc1ccc(N)cc1.Cc1ccc(Nc2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.Ic1ccc2c(c1)c1ccccc1n2-c1ccccc1.

What is the InChIKey of 3-iodo-9-phenylcarbazole;methane;4-methylaniline;N-(4-methylphenyl)-9-phenylcarbazol-3-amine;N-(4-methylphenyl)-9-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine?

The InChIKey is BUGRQGRXHSNKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N2Si.C25H20N2.C18H12IN.C7H9N.CH4/c1-41-26-32-45(33-27-41)56(47-36-39-55-53(40-47)52-24-14-15-25-54(52)57(55)44-16-6-2-7-17-44)46-34-28-42(29-35-46)43-30-37-51(38-31-43)58(48-18-8-3-9-19-48,49-20-10-4-11-21-49)50-22-12-5-13-23-50;1-18-11-13-19(14-12-18)26-20-15-16-25-23(17-20)22-9-5-6-10-24(22)27(25)21-7-3-2-4-8-21;19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14;1-6-2-4-7(8)5-3-6;/h2-40H,1H3;2-17,26H,1H3;1-12H;2-5H,8H2,1H3;1H4.

What are the key properties of 3-iodo-9-phenylcarbazole;methane;4-methylaniline;N-(4-methylphenyl)-9-phenylcarbazol-3-amine;N-(4-methylphenyl)-9-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine?

3-iodo-9-phenylcarbazole;methane;4-methylaniline;N-(4-methylphenyl)-9-phenylcarbazol-3-amine;N-(4-methylphenyl)-9-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine has a molecular weight of 1599.89 g/mol, XLogP of 26.04, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-iodo-9-phenylcarbazole;methane;4-methylaniline;N-(4-methylphenyl)-9-phenylcarbazol-3-amine;N-(4-methylphenyl)-9-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine is sourced from PubChem (CID 157464119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).