22,22,25,25-tetramethyl-14-phenyl-18-(9-phenylcarbazol-2-yl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19,21(26),27-undecaene

C54H43N3 — CID 177086589

About 22,22,25,25-tetramethyl-14-phenyl-18-(9-phenylcarbazol-2-yl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19,21(26),27-undecaene

22,22,25,25-tetramethyl-14-phenyl-18-(9-phenylcarbazol-2-yl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19,21(26),27-undecaene (PubChem CID 177086589) has the molecular formula C54H43N3 and a molecular weight of 733.96 g/mol. Its IUPAC name is 22,22,25,25-tetramethyl-14-phenyl-18-(9-phenylcarbazol-2-yl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19,21(26),27-undecaene.

Molecular Properties

• Compound Name: 22,22,25,25-tetramethyl-14-phenyl-18-(9-phenylcarbazol-2-yl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19,21(26),27-undecaene
• PubChem CID: 177086589
• Molecular Formula: C54H43N3
• Molecular Weight: 733.96 g/mol
• Exact Mass: 733.35
• IUPAC Name: 22,22,25,25-tetramethyl-14-phenyl-18-(9-phenylcarbazol-2-yl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19,21(26),27-undecaene
• SMILES: CC1(C)CCC(C)(C)c2cc3c(cc21)c1cc2c4c5ccccc5ccc4n(-c4ccccc4)c2cc1n3-c1ccc2c3ccccc3n(-c3ccccc3)c2c1
• InChI: InChI=1S/C54H43N3/c1-53(2)27-28-54(3,4)45-32-49-42(31-44(45)53)41-30-43-51(56(36-18-9-6-10-19-36)47-26-23-34-15-11-12-20-38(34)52(43)47)33-50(41)57(49)37-24-25-40-39-21-13-14-22-46(39)55(48(40)29-37)35-16-7-5-8-17-35/h5-26,29-33H,27-28H2,1-4H3
• InChIKey: RBDLHJUCSXZUIX-UHFFFAOYSA-N
• XLogP: 14.48
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	733.96
LogP ≤ 5	14.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 22,22,25,25-tetramethyl-14-phenyl-18-(9-phenylcarbazol-2-yl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19,21(26),27-undecaene?

The IUPAC name of 22,22,25,25-tetramethyl-14-phenyl-18-(9-phenylcarbazol-2-yl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19,21(26),27-undecaene (CID 177086589) is 22,22,25,25-tetramethyl-14-phenyl-18-(9-phenylcarbazol-2-yl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19,21(26),27-undecaene.

What is the SMILES notation for 22,22,25,25-tetramethyl-14-phenyl-18-(9-phenylcarbazol-2-yl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19,21(26),27-undecaene?

The canonical SMILES for 22,22,25,25-tetramethyl-14-phenyl-18-(9-phenylcarbazol-2-yl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19,21(26),27-undecaene is CC1(C)CCC(C)(C)c2cc3c(cc21)c1cc2c4c5ccccc5ccc4n(-c4ccccc4)c2cc1n3-c1ccc2c3ccccc3n(-c3ccccc3)c2c1.

What is the InChIKey of 22,22,25,25-tetramethyl-14-phenyl-18-(9-phenylcarbazol-2-yl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19,21(26),27-undecaene?

The InChIKey is RBDLHJUCSXZUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H43N3/c1-53(2)27-28-54(3,4)45-32-49-42(31-44(45)53)41-30-43-51(56(36-18-9-6-10-19-36)47-26-23-34-15-11-12-20-38(34)52(43)47)33-50(41)57(49)37-24-25-40-39-21-13-14-22-46(39)55(48(40)29-37)35-16-7-5-8-17-35/h5-26,29-33H,27-28H2,1-4H3.

What are the key properties of 22,22,25,25-tetramethyl-14-phenyl-18-(9-phenylcarbazol-2-yl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19,21(26),27-undecaene?

22,22,25,25-tetramethyl-14-phenyl-18-(9-phenylcarbazol-2-yl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19,21(26),27-undecaene has a molecular weight of 733.96 g/mol, XLogP of 14.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 22,22,25,25-tetramethyl-14-phenyl-18-(9-phenylcarbazol-2-yl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19,21(26),27-undecaene is sourced from PubChem (CID 177086589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).