9-[14-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7,9,11,16,18,20,24(29),25,27,30(34),31-hexadecaen-26-yl]-14-[4-[4-(9H-fluoren-3-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7(12),8,10,16,18,20,24,26,28,30(34),31-hexadecaene

C122H72N6 — CID 163637481

About 9-[14-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7,9,11,16,18,20,24(29),25,27,30(34),31-hexadecaen-26-yl]-14-[4-[4-(9H-fluoren-3-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7(12),8,10,16,18,20,24,26,28,30(34),31-hexadecaene

9-[14-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7,9,11,16,18,20,24(29),25,27,30(34),31-hexadecaen-26-yl]-14-[4-[4-(9H-fluoren-3-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7(12),8,10,16,18,20,24,26,28,30(34),31-hexadecaene (PubChem CID 163637481) has the molecular formula C122H72N6 and a molecular weight of 1621.96 g/mol. Its IUPAC name is 9-[14-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7,9,11,16,18,20,24(29),25,27,30(34),31-hexadecaen-26-yl]-14-[4-[4-(9H-fluoren-3-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7(12),8,10,16,18,20,24,26,28,30(34),31-hexadecaene.

Molecular Properties

• Compound Name: 9-[14-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7,9,11,16,18,20,24(29),25,27,30(34),31-hexadecaen-26-yl]-14-[4-[4-(9H-fluoren-3-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7(12),8,10,16,18,20,24,26,28,30(34),31-hexadecaene
• PubChem CID: 163637481
• Molecular Formula: C122H72N6
• Molecular Weight: 1621.96 g/mol
• Exact Mass: 1620.58
• IUPAC Name: 9-[14-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7,9,11,16,18,20,24(29),25,27,30(34),31-hexadecaen-26-yl]-14-[4-[4-(9H-fluoren-3-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7(12),8,10,16,18,20,24,26,28,30(34),31-hexadecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(C5c6c(ccc7ccccc67)-c6c5c5ccccc5c5c6c6cccc7c8ccc(-c9ccc%10c%11c(ccc%10c9)-c9c(c%10ccccc%10c%10c9c9cccc%12c%13ccccc%13n%10c%129)C%11c9ccc(-c%10nc(-c%11ccc%12c(c%11)-c%11ccccc%11C%12)c%11ccccc%11n%10)cc9)cc8n5c76)cc4)nc4ccccc34)cc21
• InChI: InChI=1S/C122H72N6/c1-122(2)98-37-15-11-25-81(98)82-57-55-77(64-99(82)122)115-92-32-13-17-39-101(92)124-121(126-115)70-45-41-67(42-46-70)104-106-79-24-6-3-21-66(79)51-59-93(106)110-108(104)86-28-8-10-30-90(86)119-113(110)96-36-20-34-88-84-58-53-72(65-103(84)128(119)117(88)96)71-52-56-80-74(61-71)54-60-94-107(80)105(109-85-27-7-9-29-89(85)118-112(111(94)109)95-35-19-33-87-83-26-14-18-40-102(83)127(118)116(87)95)68-43-47-69(48-44-68)120-123-100-38-16-12-31-91(100)114(125-120)76-50-49-75-62-73-22-4-5-23-78(73)97(75)63-76/h3-61,63-65,104-105H,62H2,1-2H3
• InChIKey: IBKZJUUWOAIORP-UHFFFAOYSA-N
• XLogP: 31.02
• TPSA: 60.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1621.96
LogP ≤ 5	31.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[14-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7,9,11,16,18,20,24(29),25,27,30(34),31-hexadecaen-26-yl]-14-[4-[4-(9H-fluoren-3-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7(12),8,10,16,18,20,24,26,28,30(34),31-hexadecaene?

The IUPAC name of 9-[14-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7,9,11,16,18,20,24(29),25,27,30(34),31-hexadecaen-26-yl]-14-[4-[4-(9H-fluoren-3-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7(12),8,10,16,18,20,24,26,28,30(34),31-hexadecaene (CID 163637481) is 9-[14-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7,9,11,16,18,20,24(29),25,27,30(34),31-hexadecaen-26-yl]-14-[4-[4-(9H-fluoren-3-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7(12),8,10,16,18,20,24,26,28,30(34),31-hexadecaene.

What is the SMILES notation for 9-[14-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7,9,11,16,18,20,24(29),25,27,30(34),31-hexadecaen-26-yl]-14-[4-[4-(9H-fluoren-3-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7(12),8,10,16,18,20,24,26,28,30(34),31-hexadecaene?

The canonical SMILES for 9-[14-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7,9,11,16,18,20,24(29),25,27,30(34),31-hexadecaen-26-yl]-14-[4-[4-(9H-fluoren-3-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7(12),8,10,16,18,20,24,26,28,30(34),31-hexadecaene is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(C5c6c(ccc7ccccc67)-c6c5c5ccccc5c5c6c6cccc7c8ccc(-c9ccc%10c%11c(ccc%10c9)-c9c(c%10ccccc%10c%10c9c9cccc%12c%13ccccc%13n%10c%129)C%11c9ccc(-c%10nc(-c%11ccc%12c(c%11)-c%11ccccc%11C%12)c%11ccccc%11n%10)cc9)cc8n5c76)cc4)nc4ccccc34)cc21.

What is the InChIKey of 9-[14-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7,9,11,16,18,20,24(29),25,27,30(34),31-hexadecaen-26-yl]-14-[4-[4-(9H-fluoren-3-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7(12),8,10,16,18,20,24,26,28,30(34),31-hexadecaene?

The InChIKey is IBKZJUUWOAIORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H72N6/c1-122(2)98-37-15-11-25-81(98)82-57-55-77(64-99(82)122)115-92-32-13-17-39-101(92)124-121(126-115)70-45-41-67(42-46-70)104-106-79-24-6-3-21-66(79)51-59-93(106)110-108(104)86-28-8-10-30-90(86)119-113(110)96-36-20-34-88-84-58-53-72(65-103(84)128(119)117(88)96)71-52-56-80-74(61-71)54-60-94-107(80)105(109-85-27-7-9-29-89(85)118-112(111(94)109)95-35-19-33-87-83-26-14-18-40-102(83)127(118)116(87)95)68-43-47-69(48-44-68)120-123-100-38-16-12-31-91(100)114(125-120)76-50-49-75-62-73-22-4-5-23-78(73)97(75)63-76/h3-61,63-65,104-105H,62H2,1-2H3.

What are the key properties of 9-[14-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7,9,11,16,18,20,24(29),25,27,30(34),31-hexadecaen-26-yl]-14-[4-[4-(9H-fluoren-3-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7(12),8,10,16,18,20,24,26,28,30(34),31-hexadecaene?

9-[14-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7,9,11,16,18,20,24(29),25,27,30(34),31-hexadecaen-26-yl]-14-[4-[4-(9H-fluoren-3-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7(12),8,10,16,18,20,24,26,28,30(34),31-hexadecaene has a molecular weight of 1621.96 g/mol, XLogP of 31.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[14-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7,9,11,16,18,20,24(29),25,27,30(34),31-hexadecaen-26-yl]-14-[4-[4-(9H-fluoren-3-yl)quinazolin-2-yl]phenyl]-23-azanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7(12),8,10,16,18,20,24,26,28,30(34),31-hexadecaene is sourced from PubChem (CID 163637481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).