3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,19-diazanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,33.021,30.023,28]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(33),21,23,25,27,29,31-hexadecaene

C58H33N5 — CID 138709194

About 3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,19-diazanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,33.021,30.023,28]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(33),21,23,25,27,29,31-hexadecaene

3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,19-diazanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,33.021,30.023,28]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(33),21,23,25,27,29,31-hexadecaene (PubChem CID 138709194) has the molecular formula C58H33N5 and a molecular weight of 799.94 g/mol. Its IUPAC name is 3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,19-diazanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,33.021,30.023,28]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(33),21,23,25,27,29,31-hexadecaene.

Molecular Properties

• Compound Name: 3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,19-diazanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,33.021,30.023,28]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(33),21,23,25,27,29,31-hexadecaene
• PubChem CID: 138709194
• Molecular Formula: C58H33N5
• Molecular Weight: 799.94 g/mol
• Exact Mass: 799.27
• IUPAC Name: 3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,19-diazanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,33.021,30.023,28]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(33),21,23,25,27,29,31-hexadecaene
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4nnc(-n5c6ccccc6c6cc7c8ccccc8n8c9c%10cc%11ccccc%11cc%10ccc9c(c65)c78)c5ccccc45)cc32)cc1
• InChI: InChI=1S/C58H33N5/c1-2-16-38(17-3-1)61-49-23-11-8-18-39(49)42-28-27-37(32-52(42)61)54-43-21-6-7-22-44(43)58(60-59-54)63-51-25-13-10-20-41(51)48-33-47-40-19-9-12-24-50(40)62-55-45(53(56(47)62)57(48)63)29-26-36-30-34-14-4-5-15-35(34)31-46(36)55/h1-33H
• InChIKey: ZGQRJMKSKKDQAL-UHFFFAOYSA-N
• XLogP: 14.95
• TPSA: 40.05 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	799.94
LogP ≤ 5	14.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,19-diazanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,33.021,30.023,28]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(33),21,23,25,27,29,31-hexadecaene?

The IUPAC name of 3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,19-diazanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,33.021,30.023,28]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(33),21,23,25,27,29,31-hexadecaene (CID 138709194) is 3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,19-diazanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,33.021,30.023,28]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(33),21,23,25,27,29,31-hexadecaene.

What is the SMILES notation for 3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,19-diazanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,33.021,30.023,28]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(33),21,23,25,27,29,31-hexadecaene?

The canonical SMILES for 3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,19-diazanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,33.021,30.023,28]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(33),21,23,25,27,29,31-hexadecaene is c1ccc(-n2c3ccccc3c3ccc(-c4nnc(-n5c6ccccc6c6cc7c8ccccc8n8c9c%10cc%11ccccc%11cc%10ccc9c(c65)c78)c5ccccc45)cc32)cc1.

What is the InChIKey of 3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,19-diazanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,33.021,30.023,28]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(33),21,23,25,27,29,31-hexadecaene?

The InChIKey is ZGQRJMKSKKDQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H33N5/c1-2-16-38(17-3-1)61-49-23-11-8-18-39(49)42-28-27-37(32-52(42)61)54-43-21-6-7-22-44(43)58(60-59-54)63-51-25-13-10-20-41(51)48-33-47-40-19-9-12-24-50(40)62-55-45(53(56(47)62)57(48)63)29-26-36-30-34-14-4-5-15-35(34)31-46(36)55/h1-33H.

What are the key properties of 3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,19-diazanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,33.021,30.023,28]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(33),21,23,25,27,29,31-hexadecaene?

3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,19-diazanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,33.021,30.023,28]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(33),21,23,25,27,29,31-hexadecaene has a molecular weight of 799.94 g/mol, XLogP of 14.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-3,19-diazanonacyclo[17.14.1.02,10.04,9.012,34.013,18.020,33.021,30.023,28]tetratriaconta-1(34),2(10),4,6,8,11,13,15,17,20(33),21,23,25,27,29,31-hexadecaene is sourced from PubChem (CID 138709194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).