7,9-diphenyl-4-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;2-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one

C105H65N3O6 — CID 157154654

About 7,9-diphenyl-4-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;2-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one

7,9-diphenyl-4-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;2-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one (PubChem CID 157154654) has the molecular formula C105H65N3O6 and a molecular weight of 1464.69 g/mol. Its IUPAC name is 7,9-diphenyl-4-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;2-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one.

Molecular Properties

• Compound Name: 7,9-diphenyl-4-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;2-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one
• PubChem CID: 157154654
• Molecular Formula: C105H65N3O6
• Molecular Weight: 1464.69 g/mol
• Exact Mass: 1463.49
• IUPAC Name: 7,9-diphenyl-4-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;2-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one
• SMILES: O=c1oc2c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cccc2c2cc(-c3ccccc3)cc(-c3ccccc3)c12.O=c1oc2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2c2ccccc12.O=c1oc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2c2ccccc12
• InChI: InChI=1S/C43H27NO2.2C31H19NO2/c45-43-41-36(29-15-6-2-7-16-29)26-31(28-13-4-1-5-14-28)27-38(41)35-21-12-20-33(42(35)46-43)30-23-24-40-37(25-30)34-19-10-11-22-39(34)44(40)32-17-8-3-9-18-32;33-31-26-12-5-4-10-23(26)25-16-14-21(19-30(25)34-31)20-15-17-29-27(18-20)24-11-6-7-13-28(24)32(29)22-8-2-1-3-9-22;33-31-25-12-5-4-10-23(25)27-19-21(15-17-30(27)34-31)20-14-16-29-26(18-20)24-11-6-7-13-28(24)32(29)22-8-2-1-3-9-22/h1-27H;2*1-19H
• InChIKey: ALQZDZBMUXFADL-UHFFFAOYSA-N
• XLogP: 26.46
• TPSA: 105.42 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1464.69
LogP ≤ 5	26.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7,9-diphenyl-4-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;2-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one?

The IUPAC name of 7,9-diphenyl-4-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;2-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one (CID 157154654) is 7,9-diphenyl-4-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;2-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one.

What is the SMILES notation for 7,9-diphenyl-4-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;2-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one?

The canonical SMILES for 7,9-diphenyl-4-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;2-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one is O=c1oc2c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cccc2c2cc(-c3ccccc3)cc(-c3ccccc3)c12.O=c1oc2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2c2ccccc12.O=c1oc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2c2ccccc12.

What is the InChIKey of 7,9-diphenyl-4-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;2-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one?

The InChIKey is ALQZDZBMUXFADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27NO2.2C31H19NO2/c45-43-41-36(29-15-6-2-7-16-29)26-31(28-13-4-1-5-14-28)27-38(41)35-21-12-20-33(42(35)46-43)30-23-24-40-37(25-30)34-19-10-11-22-39(34)44(40)32-17-8-3-9-18-32;33-31-26-12-5-4-10-23(26)25-16-14-21(19-30(25)34-31)20-15-17-29-27(18-20)24-11-6-7-13-28(24)32(29)22-8-2-1-3-9-22;33-31-25-12-5-4-10-23(25)27-19-21(15-17-30(27)34-31)20-14-16-29-26(18-20)24-11-6-7-13-28(24)32(29)22-8-2-1-3-9-22/h1-27H;2*1-19H.

What are the key properties of 7,9-diphenyl-4-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;2-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one?

7,9-diphenyl-4-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;2-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one has a molecular weight of 1464.69 g/mol, XLogP of 26.46, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7,9-diphenyl-4-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;2-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one;3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one is sourced from PubChem (CID 157154654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).