4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-26-phenyl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(7-phenylnaphthalen-2-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene

C161H98N12S3 — CID 158261971

About 4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-26-phenyl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(7-phenylnaphthalen-2-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene

4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-26-phenyl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(7-phenylnaphthalen-2-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene (PubChem CID 158261971) has the molecular formula C161H98N12S3 and a molecular weight of 2296.84 g/mol. Its IUPAC name is 4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-26-phenyl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(7-phenylnaphthalen-2-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene.

Molecular Properties

• Compound Name: 4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-26-phenyl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(7-phenylnaphthalen-2-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
• PubChem CID: 158261971
• Molecular Formula: C161H98N12S3
• Molecular Weight: 2296.84 g/mol
• Exact Mass: 2294.72
• IUPAC Name: 4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-26-phenyl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(7-phenylnaphthalen-2-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5ccc6sc7ccc8c9ccccc9n(-c9ccccc9)c8c7c6c54)nc4ccccc34)cc21.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6sc7ccc8c9ccccc9n(-c9ccccc9)c8c7c6c54)nc4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccc3ccc(-c4nc(-n5c6ccccc6c6ccc7sc8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8c7c65)nc5ccccc45)cc3c2)cc1
• InChI: InChI=1S/2C54H32N4S.C53H34N4S/c1-3-13-33(14-4-1)35-25-23-34-24-26-36(32-37(34)31-35)51-43-19-7-10-20-44(43)55-54(56-51)58-46-22-12-9-18-40(46)42-28-30-48-50(53(42)58)49-47(59-48)29-27-41-39-17-8-11-21-45(39)57(52(41)49)38-15-5-2-6-16-38;1-3-15-33(16-4-1)35-27-28-40(37-20-8-7-19-36(35)37)51-43-23-9-12-24-44(43)55-54(56-51)58-46-26-14-11-22-39(46)42-30-32-48-50(53(42)58)49-47(59-48)31-29-41-38-21-10-13-25-45(38)57(52(41)49)34-17-5-2-6-18-34;1-53(2)40-20-10-6-16-33(40)34-25-24-31(30-41(34)53)49-39-19-7-11-21-42(39)54-52(55-49)57-44-23-13-9-18-36(44)38-27-29-46-48(51(38)57)47-45(58-46)28-26-37-35-17-8-12-22-43(35)56(50(37)47)32-14-4-3-5-15-32/h2*1-32H;3-30H,1-2H3
• InChIKey: GHZBBHBZAONYNX-UHFFFAOYSA-N
• XLogP: 43.52
• TPSA: 106.92 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2296.84
LogP ≤ 5	43.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-26-phenyl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(7-phenylnaphthalen-2-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?

The IUPAC name of 4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-26-phenyl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(7-phenylnaphthalen-2-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene (CID 158261971) is 4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-26-phenyl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(7-phenylnaphthalen-2-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene.

What is the SMILES notation for 4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-26-phenyl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(7-phenylnaphthalen-2-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?

The canonical SMILES for 4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-26-phenyl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(7-phenylnaphthalen-2-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene is CC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5ccc6sc7ccc8c9ccccc9n(-c9ccccc9)c8c7c6c54)nc4ccccc34)cc21.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6sc7ccc8c9ccccc9n(-c9ccccc9)c8c7c6c54)nc4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccc3ccc(-c4nc(-n5c6ccccc6c6ccc7sc8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8c7c65)nc5ccccc45)cc3c2)cc1.

What is the InChIKey of 4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-26-phenyl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(7-phenylnaphthalen-2-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?

The InChIKey is GHZBBHBZAONYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H32N4S.C53H34N4S/c1-3-13-33(14-4-1)35-25-23-34-24-26-36(32-37(34)31-35)51-43-19-7-10-20-44(43)55-54(56-51)58-46-22-12-9-18-40(46)42-28-30-48-50(53(42)58)49-47(59-48)29-27-41-39-17-8-11-21-45(39)57(52(41)49)38-15-5-2-6-16-38;1-3-15-33(16-4-1)35-27-28-40(37-20-8-7-19-36(35)37)51-43-23-9-12-24-44(43)55-54(56-51)58-46-26-14-11-22-39(46)42-30-32-48-50(53(42)58)49-47(59-48)31-29-41-38-21-10-13-25-45(38)57(52(41)49)34-17-5-2-6-18-34;1-53(2)40-20-10-6-16-33(40)34-25-24-31(30-41(34)53)49-39-19-7-11-21-42(39)54-52(55-49)57-44-23-13-9-18-36(44)38-27-29-46-48(51(38)57)47-45(58-46)28-26-37-35-17-8-12-22-43(35)56(50(37)47)32-14-4-3-5-15-32/h2*1-32H;3-30H,1-2H3.

What are the key properties of 4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-26-phenyl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(7-phenylnaphthalen-2-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?

4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-26-phenyl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(7-phenylnaphthalen-2-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene has a molecular weight of 2296.84 g/mol, XLogP of 43.52, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-26-phenyl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(7-phenylnaphthalen-2-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene is sourced from PubChem (CID 158261971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).