14-[4-[4-(9,9-dimethylfluoren-1-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),5,7,9,11,16,18,20,24,26,28,30(34),31-hexadecaene

C62H39N3 — CID 163539917

About 14-[4-[4-(9,9-dimethylfluoren-1-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),5,7,9,11,16,18,20,24,26,28,30(34),31-hexadecaene

14-[4-[4-(9,9-dimethylfluoren-1-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),5,7,9,11,16,18,20,24,26,28,30(34),31-hexadecaene (PubChem CID 163539917) has the molecular formula C62H39N3 and a molecular weight of 826.02 g/mol. Its IUPAC name is 14-[4-[4-(9,9-dimethylfluoren-1-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),5,7,9,11,16,18,20,24,26,28,30(34),31-hexadecaene.

Molecular Properties

• Compound Name: 14-[4-[4-(9,9-dimethylfluoren-1-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),5,7,9,11,16,18,20,24,26,28,30(34),31-hexadecaene
• PubChem CID: 163539917
• Molecular Formula: C62H39N3
• Molecular Weight: 826.02 g/mol
• Exact Mass: 825.31
• IUPAC Name: 14-[4-[4-(9,9-dimethylfluoren-1-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),5,7,9,11,16,18,20,24,26,28,30(34),31-hexadecaene
• SMILES: CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccc(C5c6c(ccc7ccccc67)-c6c5c5ccccc5c5c6c6cccc7c8ccccc8n5c76)cc4)nc4ccccc34)c21
• InChI: InChI=1S/C62H39N3/c1-62(2)49-26-10-7-17-39(49)42-22-13-25-48(57(42)62)58-45-21-8-11-27-50(45)63-61(64-58)37-31-29-36(30-32-37)52-53-38-16-4-3-15-35(38)33-34-46(53)55-54(52)41-19-5-6-20-44(41)60-56(55)47-24-14-23-43-40-18-9-12-28-51(40)65(60)59(43)47/h3-34,52H,1-2H3
• InChIKey: FAFRCVLJAIWYLV-UHFFFAOYSA-N
• XLogP: 15.89
• TPSA: 30.19 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	826.02
LogP ≤ 5	15.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 14-[4-[4-(9,9-dimethylfluoren-1-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),5,7,9,11,16,18,20,24,26,28,30(34),31-hexadecaene?

The IUPAC name of 14-[4-[4-(9,9-dimethylfluoren-1-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),5,7,9,11,16,18,20,24,26,28,30(34),31-hexadecaene (CID 163539917) is 14-[4-[4-(9,9-dimethylfluoren-1-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),5,7,9,11,16,18,20,24,26,28,30(34),31-hexadecaene.

What is the SMILES notation for 14-[4-[4-(9,9-dimethylfluoren-1-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),5,7,9,11,16,18,20,24,26,28,30(34),31-hexadecaene?

The canonical SMILES for 14-[4-[4-(9,9-dimethylfluoren-1-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),5,7,9,11,16,18,20,24,26,28,30(34),31-hexadecaene is CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccc(C5c6c(ccc7ccccc67)-c6c5c5ccccc5c5c6c6cccc7c8ccccc8n5c76)cc4)nc4ccccc34)c21.

What is the InChIKey of 14-[4-[4-(9,9-dimethylfluoren-1-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),5,7,9,11,16,18,20,24,26,28,30(34),31-hexadecaene?

The InChIKey is FAFRCVLJAIWYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N3/c1-62(2)49-26-10-7-17-39(49)42-22-13-25-48(57(42)62)58-45-21-8-11-27-50(45)63-61(64-58)37-31-29-36(30-32-37)52-53-38-16-4-3-15-35(38)33-34-46(53)55-54(52)41-19-5-6-20-44(41)60-56(55)47-24-14-23-43-40-18-9-12-28-51(40)65(60)59(43)47/h3-34,52H,1-2H3.

What are the key properties of 14-[4-[4-(9,9-dimethylfluoren-1-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),5,7,9,11,16,18,20,24,26,28,30(34),31-hexadecaene?

14-[4-[4-(9,9-dimethylfluoren-1-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),5,7,9,11,16,18,20,24,26,28,30(34),31-hexadecaene has a molecular weight of 826.02 g/mol, XLogP of 15.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[4-[4-(9,9-dimethylfluoren-1-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),5,7,9,11,16,18,20,24,26,28,30(34),31-hexadecaene is sourced from PubChem (CID 163539917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).