22,22,25,25-tetramethyl-13-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21(26),27-undecaene

C56H44N4 — CID 177086974

About 22,22,25,25-tetramethyl-13-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21(26),27-undecaene

22,22,25,25-tetramethyl-13-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21(26),27-undecaene (PubChem CID 177086974) has the molecular formula C56H44N4 and a molecular weight of 773.00 g/mol. Its IUPAC name is 22,22,25,25-tetramethyl-13-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21(26),27-undecaene.

Molecular Properties

• Compound Name: 22,22,25,25-tetramethyl-13-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21(26),27-undecaene
• PubChem CID: 177086974
• Molecular Formula: C56H44N4
• Molecular Weight: 773.00 g/mol
• Exact Mass: 772.36
• IUPAC Name: 22,22,25,25-tetramethyl-13-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21(26),27-undecaene
• SMILES: CC1(C)CCC(C)(C)c2cc3c(cc21)c1c2c4c5ccccc5ccc4n(-c4ccccc4)c2ccc1n3-c1nc(-c2ccc(-c3ccccc3)cc2)c2ccccc2n1
• InChI: InChI=1S/C56H44N4/c1-55(2)31-32-56(3,4)44-34-49-42(33-43(44)55)51-47(29-30-48-52(51)50-40-20-12-11-17-37(40)27-28-46(50)59(48)39-18-9-6-10-19-39)60(49)54-57-45-22-14-13-21-41(45)53(58-54)38-25-23-36(24-26-38)35-15-7-5-8-16-35/h5-30,33-34H,31-32H2,1-4H3
• InChIKey: YACVSYLWEXVAGM-UHFFFAOYSA-N
• XLogP: 14.66
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.00
LogP ≤ 5	14.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 22,22,25,25-tetramethyl-13-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21(26),27-undecaene?

The IUPAC name of 22,22,25,25-tetramethyl-13-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21(26),27-undecaene (CID 177086974) is 22,22,25,25-tetramethyl-13-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21(26),27-undecaene.

What is the SMILES notation for 22,22,25,25-tetramethyl-13-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21(26),27-undecaene?

The canonical SMILES for 22,22,25,25-tetramethyl-13-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21(26),27-undecaene is CC1(C)CCC(C)(C)c2cc3c(cc21)c1c2c4c5ccccc5ccc4n(-c4ccccc4)c2ccc1n3-c1nc(-c2ccc(-c3ccccc3)cc2)c2ccccc2n1.

What is the InChIKey of 22,22,25,25-tetramethyl-13-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21(26),27-undecaene?

The InChIKey is YACVSYLWEXVAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N4/c1-55(2)31-32-56(3,4)44-34-49-42(33-43(44)55)51-47(29-30-48-52(51)50-40-20-12-11-17-37(40)27-28-46(50)59(48)39-18-9-6-10-19-39)60(49)54-57-45-22-14-13-21-41(45)53(58-54)38-25-23-36(24-26-38)35-15-7-5-8-16-35/h5-30,33-34H,31-32H2,1-4H3.

What are the key properties of 22,22,25,25-tetramethyl-13-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21(26),27-undecaene?

22,22,25,25-tetramethyl-13-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21(26),27-undecaene has a molecular weight of 773.00 g/mol, XLogP of 14.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 22,22,25,25-tetramethyl-13-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21(26),27-undecaene is sourced from PubChem (CID 177086974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).