24-[7-[1-(9,9-dimethylfluoren-2-yl)benzo[f]quinazolin-3-yl]-9,9-dimethylfluoren-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

C64H43N3S — CID 122605144

About 24-[7-[1-(9,9-dimethylfluoren-2-yl)benzo[f]quinazolin-3-yl]-9,9-dimethylfluoren-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

24-[7-[1-(9,9-dimethylfluoren-2-yl)benzo[f]quinazolin-3-yl]-9,9-dimethylfluoren-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 122605144) has the molecular formula C64H43N3S and a molecular weight of 886.14 g/mol. Its IUPAC name is 24-[7-[1-(9,9-dimethylfluoren-2-yl)benzo[f]quinazolin-3-yl]-9,9-dimethylfluoren-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

Molecular Properties

• Compound Name: 24-[7-[1-(9,9-dimethylfluoren-2-yl)benzo[f]quinazolin-3-yl]-9,9-dimethylfluoren-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• PubChem CID: 122605144
• Molecular Formula: C64H43N3S
• Molecular Weight: 886.14 g/mol
• Exact Mass: 885.32
• IUPAC Name: 24-[7-[1-(9,9-dimethylfluoren-2-yl)benzo[f]quinazolin-3-yl]-9,9-dimethylfluoren-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)C(C)(C)c4cc(-n6c7ccccc7c7c8ccccc8c8c9ccccc9sc8c76)ccc4-5)nc4ccc5ccccc5c34)cc21
• InChI: InChI=1S/C64H43N3S/c1-63(2)49-22-12-9-17-41(49)42-29-25-37(33-50(42)63)59-58-40-16-6-5-15-36(40)27-32-53(58)65-62(66-59)38-26-30-43-44-31-28-39(35-52(44)64(3,4)51(43)34-38)67-54-23-13-10-20-47(54)56-45-18-7-8-19-46(45)57-48-21-11-14-24-55(48)68-61(57)60(56)67/h5-35H,1-4H3
• InChIKey: OBERPYCHKWAVIM-UHFFFAOYSA-N
• XLogP: 17.35
• TPSA: 30.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	886.14
LogP ≤ 5	17.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 24-[7-[1-(9,9-dimethylfluoren-2-yl)benzo[f]quinazolin-3-yl]-9,9-dimethylfluoren-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The IUPAC name of 24-[7-[1-(9,9-dimethylfluoren-2-yl)benzo[f]quinazolin-3-yl]-9,9-dimethylfluoren-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 122605144) is 24-[7-[1-(9,9-dimethylfluoren-2-yl)benzo[f]quinazolin-3-yl]-9,9-dimethylfluoren-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

What is the SMILES notation for 24-[7-[1-(9,9-dimethylfluoren-2-yl)benzo[f]quinazolin-3-yl]-9,9-dimethylfluoren-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The canonical SMILES for 24-[7-[1-(9,9-dimethylfluoren-2-yl)benzo[f]quinazolin-3-yl]-9,9-dimethylfluoren-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)C(C)(C)c4cc(-n6c7ccccc7c7c8ccccc8c8c9ccccc9sc8c76)ccc4-5)nc4ccc5ccccc5c34)cc21.

What is the InChIKey of 24-[7-[1-(9,9-dimethylfluoren-2-yl)benzo[f]quinazolin-3-yl]-9,9-dimethylfluoren-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The InChIKey is OBERPYCHKWAVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N3S/c1-63(2)49-22-12-9-17-41(49)42-29-25-37(33-50(42)63)59-58-40-16-6-5-15-36(40)27-32-53(58)65-62(66-59)38-26-30-43-44-31-28-39(35-52(44)64(3,4)51(43)34-38)67-54-23-13-10-20-47(54)56-45-18-7-8-19-46(45)57-48-21-11-14-24-55(48)68-61(57)60(56)67/h5-35H,1-4H3.

What are the key properties of 24-[7-[1-(9,9-dimethylfluoren-2-yl)benzo[f]quinazolin-3-yl]-9,9-dimethylfluoren-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

24-[7-[1-(9,9-dimethylfluoren-2-yl)benzo[f]quinazolin-3-yl]-9,9-dimethylfluoren-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 886.14 g/mol, XLogP of 17.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 24-[7-[1-(9,9-dimethylfluoren-2-yl)benzo[f]quinazolin-3-yl]-9,9-dimethylfluoren-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 122605144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).