14-[4-[4-(9,9-dimethylfluoren-3-yl)quinazolin-2-yl]phenyl]-14,23-diazanonacyclo[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

C61H38N4 — CID 163828420

About 14-[4-[4-(9,9-dimethylfluoren-3-yl)quinazolin-2-yl]phenyl]-14,23-diazanonacyclo[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-3-yl)quinazolin-2-yl]phenyl]-14,23-diazanonacyclo[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 163828420) has the molecular formula C61H38N4 and a molecular weight of 827.00 g/mol. Its IUPAC name is 14-[4-[4-(9,9-dimethylfluoren-3-yl)quinazolin-2-yl]phenyl]-14,23-diazanonacyclo[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-3-yl)quinazolin-2-yl]phenyl]-14,23-diazanonacyclo[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: 163828420
• Molecular Formula: C61H38N4
• Molecular Weight: 827.00 g/mol
• Exact Mass: 826.31
• IUPAC Name: 14-[4-[4-(9,9-dimethylfluoren-3-yl)quinazolin-2-yl]phenyl]-14,23-diazanonacyclo[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-c2cc(-c3nc(-c4ccc(-n5c6c7ccccc7ccc6c6c7c8cccc9c%10ccccc%10n(c98)c7c7ccccc7c65)cc4)nc4ccccc34)ccc21
• InChI: InChI=1S/C61H38N4/c1-61(2)49-23-10-7-16-40(49)48-34-37(29-33-50(48)61)55-45-20-8-11-24-51(45)62-60(63-55)36-26-30-38(31-27-36)64-56-39-15-4-3-14-35(39)28-32-47(56)54-53-46-22-13-21-42-41-17-9-12-25-52(41)65(57(42)46)59(53)44-19-6-5-18-43(44)58(54)64/h3-34H,1-2H3
• InChIKey: OBOALLSSIBVGIH-UHFFFAOYSA-N
• XLogP: 15.82
• TPSA: 35.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	827.00
LogP ≤ 5	15.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 14-[4-[4-(9,9-dimethylfluoren-3-yl)quinazolin-2-yl]phenyl]-14,23-diazanonacyclo[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-3-yl)quinazolin-2-yl]phenyl]-14,23-diazanonacyclo[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 163828420) is 14-[4-[4-(9,9-dimethylfluoren-3-yl)quinazolin-2-yl]phenyl]-14,23-diazanonacyclo[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-3-yl)quinazolin-2-yl]phenyl]-14,23-diazanonacyclo[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-3-yl)quinazolin-2-yl]phenyl]-14,23-diazanonacyclo[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-c2cc(-c3nc(-c4ccc(-n5c6c7ccccc7ccc6c6c7c8cccc9c%10ccccc%10n(c98)c7c7ccccc7c65)cc4)nc4ccccc34)ccc21.

What is the InChIKey of 14-[4-[4-(9,9-dimethylfluoren-3-yl)quinazolin-2-yl]phenyl]-14,23-diazanonacyclo[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 OBOALLSSIBVGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N4/c1-61(2)49-23-10-7-16-40(49)48-34-37(29-33-50(48)61)55-45-20-8-11-24-51(45)62-60(63-55)36-26-30-38(31-27-36)64-56-39-15-4-3-14-35(39)28-32-47(56)54-53-46-22-13-21-42-41-17-9-12-25-52(41)65(57(42)46)59(53)44-19-6-5-18-43(44)58(54)64/h3-34H,1-2H3.

What are the key properties of 14-[4-[4-(9,9-dimethylfluoren-3-yl)quinazolin-2-yl]phenyl]-14,23-diazanonacyclo[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-3-yl)quinazolin-2-yl]phenyl]-14,23-diazanonacyclo[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 827.00 g/mol, XLogP of 15.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[4-[4-(9,9-dimethylfluoren-3-yl)quinazolin-2-yl]phenyl]-14,23-diazanonacyclo[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 163828420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).