24-[4-(9,9-dimethylfluoren-2-yl)-1,2-dihydrobenzo[h]quinazolin-2-yl]-15-methyl-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

C50H35N3S — CID 126634763

About 24-[4-(9,9-dimethylfluoren-2-yl)-1,2-dihydrobenzo[h]quinazolin-2-yl]-15-methyl-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-[4-(9,9-dimethylfluoren-2-yl)-1,2-dihydrobenzo[h]quinazolin-2-yl]-15-methyl-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 126634763) has the molecular formula C50H35N3S and a molecular weight of 709.92 g/mol. Its IUPAC name is 24-[4-(9,9-dimethylfluoren-2-yl)-1,2-dihydrobenzo[h]quinazolin-2-yl]-15-methyl-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-[4-(9,9-dimethylfluoren-2-yl)-1,2-dihydrobenzo[h]quinazolin-2-yl]-15-methyl-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: 126634763
• Molecular Formula: C50H35N3S
• Molecular Weight: 709.92 g/mol
• Exact Mass: 709.26
• IUPAC Name: 24-[4-(9,9-dimethylfluoren-2-yl)-1,2-dihydrobenzo[h]quinazolin-2-yl]-15-methyl-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: Cc1cccc2c1c1c3ccccc3n(C3N=C(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5ccccc5c4N3)c1c1sc3ccccc3c21
• InChI: InChI=1S/C50H35N3S/c1-28-13-12-19-36-42(28)44-34-17-7-10-21-40(34)53(47(44)48-43(36)35-18-8-11-22-41(35)54-48)49-51-45(37-26-23-29-14-4-5-15-31(29)46(37)52-49)30-24-25-33-32-16-6-9-20-38(32)50(2,3)39(33)27-30/h4-27,49,52H,1-3H3
• InChIKey: OYCMKSFPEWNMOX-UHFFFAOYSA-N
• XLogP: 13.50
• TPSA: 29.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	709.92
LogP ≤ 5	13.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 24-[4-(9,9-dimethylfluoren-2-yl)-1,2-dihydrobenzo[h]quinazolin-2-yl]-15-methyl-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-[4-(9,9-dimethylfluoren-2-yl)-1,2-dihydrobenzo[h]quinazolin-2-yl]-15-methyl-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 126634763) is 24-[4-(9,9-dimethylfluoren-2-yl)-1,2-dihydrobenzo[h]quinazolin-2-yl]-15-methyl-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-[4-(9,9-dimethylfluoren-2-yl)-1,2-dihydrobenzo[h]quinazolin-2-yl]-15-methyl-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-[4-(9,9-dimethylfluoren-2-yl)-1,2-dihydrobenzo[h]quinazolin-2-yl]-15-methyl-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 Cc1cccc2c1c1c3ccccc3n(C3N=C(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5ccccc5c4N3)c1c1sc3ccccc3c21.

What is the InChIKey of 24-[4-(9,9-dimethylfluoren-2-yl)-1,2-dihydrobenzo[h]quinazolin-2-yl]-15-methyl-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 OYCMKSFPEWNMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N3S/c1-28-13-12-19-36-42(28)44-34-17-7-10-21-40(34)53(47(44)48-43(36)35-18-8-11-22-41(35)54-48)49-51-45(37-26-23-29-14-4-5-15-31(29)46(37)52-49)30-24-25-33-32-16-6-9-20-38(32)50(2,3)39(33)27-30/h4-27,49,52H,1-3H3.

What are the key properties of 24-[4-(9,9-dimethylfluoren-2-yl)-1,2-dihydrobenzo[h]quinazolin-2-yl]-15-methyl-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-[4-(9,9-dimethylfluoren-2-yl)-1,2-dihydrobenzo[h]quinazolin-2-yl]-15-methyl-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 709.92 g/mol, XLogP of 13.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 24-[4-(9,9-dimethylfluoren-2-yl)-1,2-dihydrobenzo[h]quinazolin-2-yl]-15-methyl-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 126634763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).