9-(1-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1,3-di(carbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole;3-iodo-9-phenylcarbazole

C109H70IN7 — CID 161107853

About 9-(1-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1,3-di(carbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole;3-iodo-9-phenylcarbazole

9-(1-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1,3-di(carbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole;3-iodo-9-phenylcarbazole (PubChem CID 161107853) has the molecular formula C109H70IN7 and a molecular weight of 1604.71 g/mol. Its IUPAC name is 9-(1-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1,3-di(carbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole;3-iodo-9-phenylcarbazole.

Molecular Properties

• Compound Name: 9-(1-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1,3-di(carbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole;3-iodo-9-phenylcarbazole
• PubChem CID: 161107853
• Molecular Formula: C109H70IN7
• Molecular Weight: 1604.71 g/mol
• Exact Mass: 1603.47
• IUPAC Name: 9-(1-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1,3-di(carbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole;3-iodo-9-phenylcarbazole
• SMILES: Ic1ccc2c(c1)c1ccccc1n2-c1ccccc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c54)ccc32)cc1.c1ccc2c(c1)Cc1c-2cc(-n2c3ccccc3c3ccccc32)cc1-n1c2ccccc2c2ccccc21
• InChI: InChI=1S/C54H34N4.C37H24N2.C18H12IN/c1-2-16-35(17-3-1)55-48-26-12-8-22-42(48)44-32-36(30-31-52(44)55)57-49-27-13-9-23-43(49)45-33-37(56-46-24-10-4-18-38(46)39-19-5-11-25-47(39)56)34-53(54(45)57)58-50-28-14-6-20-40(50)41-21-7-15-29-51(41)58;1-2-12-26-24(11-1)21-32-31(26)22-25(38-33-17-7-3-13-27(33)28-14-4-8-18-34(28)38)23-37(32)39-35-19-9-5-15-29(35)30-16-6-10-20-36(30)39;19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-34H;1-20,22-23H,21H2;1-12H
• InChIKey: UJHHZBAARBPEBA-UHFFFAOYSA-N
• XLogP: 28.92
• TPSA: 34.51 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1604.71
LogP ≤ 5	28.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(1-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1,3-di(carbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole;3-iodo-9-phenylcarbazole?

The IUPAC name of 9-(1-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1,3-di(carbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole;3-iodo-9-phenylcarbazole (CID 161107853) is 9-(1-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1,3-di(carbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole;3-iodo-9-phenylcarbazole.

What is the SMILES notation for 9-(1-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1,3-di(carbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole;3-iodo-9-phenylcarbazole?

The canonical SMILES for 9-(1-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1,3-di(carbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole;3-iodo-9-phenylcarbazole is Ic1ccc2c(c1)c1ccccc1n2-c1ccccc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c54)ccc32)cc1.c1ccc2c(c1)Cc1c-2cc(-n2c3ccccc3c3ccccc32)cc1-n1c2ccccc2c2ccccc21.

What is the InChIKey of 9-(1-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1,3-di(carbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole;3-iodo-9-phenylcarbazole?

The InChIKey is UJHHZBAARBPEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4.C37H24N2.C18H12IN/c1-2-16-35(17-3-1)55-48-26-12-8-22-42(48)44-32-36(30-31-52(44)55)57-49-27-13-9-23-43(49)45-33-37(56-46-24-10-4-18-38(46)39-19-5-11-25-47(39)56)34-53(54(45)57)58-50-28-14-6-20-40(50)41-21-7-15-29-51(41)58;1-2-12-26-24(11-1)21-32-31(26)22-25(38-33-17-7-3-13-27(33)28-14-4-8-18-34(28)38)23-37(32)39-35-19-9-5-15-29(35)30-16-6-10-20-36(30)39;19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-34H;1-20,22-23H,21H2;1-12H.

What are the key properties of 9-(1-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1,3-di(carbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole;3-iodo-9-phenylcarbazole?

9-(1-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1,3-di(carbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole;3-iodo-9-phenylcarbazole has a molecular weight of 1604.71 g/mol, XLogP of 28.92, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(1-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1,3-di(carbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole;3-iodo-9-phenylcarbazole is sourced from PubChem (CID 161107853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).