6-(9,9-dimethylfluoren-2-yl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene

C123H81N — CID 159572251

About 6-(9,9-dimethylfluoren-2-yl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene

6-(9,9-dimethylfluoren-2-yl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene (PubChem CID 159572251) has the molecular formula C123H81N and a molecular weight of 1573.01 g/mol. Its IUPAC name is 6-(9,9-dimethylfluoren-2-yl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene.

Molecular Properties

• Compound Name: 6-(9,9-dimethylfluoren-2-yl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene
• PubChem CID: 159572251
• Molecular Formula: C123H81N
• Molecular Weight: 1573.01 g/mol
• Exact Mass: 1571.64
• IUPAC Name: 6-(9,9-dimethylfluoren-2-yl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cc4c5ccccc5ccc4c4ccccc34)cc21.c1ccc(-c2cccc(-c3cc(-c4ccccc4)c4ccc(-c5cc6c7ccccc7ccc6c6ccccc56)cc4c3)c2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cc5c6ccccc6c6cc7ccccc7cc6c5c5ccccc45)cc32)cc1
• InChI: InChI=1S/C46H30.C44H27N.C33H24/c1-3-12-31(13-4-1)34-17-11-18-35(26-34)37-28-38-27-36(23-24-40(38)44(29-37)32-14-5-2-6-15-32)45-30-46-39-19-8-7-16-33(39)22-25-43(46)41-20-9-10-21-42(41)45;1-2-14-31(15-3-1)45-42-21-11-10-19-35(42)36-23-22-30(26-43(36)45)38-27-41-33-17-7-6-16-32(33)39-24-28-12-4-5-13-29(28)25-40(39)44(41)37-20-9-8-18-34(37)38;1-33(2)31-14-8-7-13-27(31)28-18-16-22(19-32(28)33)29-20-30-23-10-4-3-9-21(23)15-17-26(30)24-11-5-6-12-25(24)29/h1-30H;1-27H;3-20H,1-2H3
• InChIKey: MHYVTFQQDYIOQK-UHFFFAOYSA-N
• XLogP: 34.30
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1573.01
LogP ≤ 5	34.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylfluoren-2-yl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene?

The IUPAC name of 6-(9,9-dimethylfluoren-2-yl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene (CID 159572251) is 6-(9,9-dimethylfluoren-2-yl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene.

What is the SMILES notation for 6-(9,9-dimethylfluoren-2-yl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene?

The canonical SMILES for 6-(9,9-dimethylfluoren-2-yl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene is CC1(C)c2ccccc2-c2ccc(-c3cc4c5ccccc5ccc4c4ccccc34)cc21.c1ccc(-c2cccc(-c3cc(-c4ccccc4)c4ccc(-c5cc6c7ccccc7ccc6c6ccccc56)cc4c3)c2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cc5c6ccccc6c6cc7ccccc7cc6c5c5ccccc45)cc32)cc1.

What is the InChIKey of 6-(9,9-dimethylfluoren-2-yl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene?

The InChIKey is MHYVTFQQDYIOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30.C44H27N.C33H24/c1-3-12-31(13-4-1)34-17-11-18-35(26-34)37-28-38-27-36(23-24-40(38)44(29-37)32-14-5-2-6-15-32)45-30-46-39-19-8-7-16-33(39)22-25-43(46)41-20-9-10-21-42(41)45;1-2-14-31(15-3-1)45-42-21-11-10-19-35(42)36-23-22-30(26-43(36)45)38-27-41-33-17-7-6-16-32(33)39-24-28-12-4-5-13-29(28)25-40(39)44(41)37-20-9-8-18-34(37)38;1-33(2)31-14-8-7-13-27(31)28-18-16-22(19-32(28)33)29-20-30-23-10-4-3-9-21(23)15-17-26(30)24-11-5-6-12-25(24)29/h1-30H;1-27H;3-20H,1-2H3.

What are the key properties of 6-(9,9-dimethylfluoren-2-yl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene?

6-(9,9-dimethylfluoren-2-yl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene has a molecular weight of 1573.01 g/mol, XLogP of 34.30, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(9,9-dimethylfluoren-2-yl)chrysene;2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole;6-[5-phenyl-7-(3-phenylphenyl)naphthalen-2-yl]chrysene is sourced from PubChem (CID 159572251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).