32-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-12,32-diazanonacyclo[17.14.1.02,11.05,10.012,34.013,18.021,33.022,31.023,28]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21(33),22(31),23,25,27,29-hexadecaene

C58H33N5 — CID 138708900

About 32-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-12,32-diazanonacyclo[17.14.1.02,11.05,10.012,34.013,18.021,33.022,31.023,28]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21(33),22(31),23,25,27,29-hexadecaene

32-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-12,32-diazanonacyclo[17.14.1.02,11.05,10.012,34.013,18.021,33.022,31.023,28]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21(33),22(31),23,25,27,29-hexadecaene (PubChem CID 138708900) has the molecular formula C58H33N5 and a molecular weight of 799.94 g/mol. Its IUPAC name is 32-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-12,32-diazanonacyclo[17.14.1.02,11.05,10.012,34.013,18.021,33.022,31.023,28]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21(33),22(31),23,25,27,29-hexadecaene.

Molecular Properties

• Compound Name: 32-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-12,32-diazanonacyclo[17.14.1.02,11.05,10.012,34.013,18.021,33.022,31.023,28]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21(33),22(31),23,25,27,29-hexadecaene
• PubChem CID: 138708900
• Molecular Formula: C58H33N5
• Molecular Weight: 799.94 g/mol
• Exact Mass: 799.27
• IUPAC Name: 32-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-12,32-diazanonacyclo[17.14.1.02,11.05,10.012,34.013,18.021,33.022,31.023,28]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21(33),22(31),23,25,27,29-hexadecaene
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6ccc7ccccc7c6c6cc7c8ccccc8n8c9c%10ccccc%10ccc9c(c65)c78)nc5ccccc45)cc32)cc1
• InChI: InChI=1S/C58H33N5/c1-2-16-37(17-3-1)61-48-24-12-9-20-40(48)42-29-27-36(32-51(42)61)54-43-22-8-11-23-47(43)59-58(60-54)63-50-31-28-34-14-4-6-18-38(34)52(50)46-33-45-41-21-10-13-25-49(41)62-55-39-19-7-5-15-35(39)26-30-44(55)53(56(45)62)57(46)63/h1-33H
• InChIKey: ZRNAHCQKASNFAN-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

Frequently Asked Questions

What is the IUPAC name of 32-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-12,32-diazanonacyclo[17.14.1.02,11.05,10.012,34.013,18.021,33.022,31.023,28]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21(33),22(31),23,25,27,29-hexadecaene?

The IUPAC name of 32-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-12,32-diazanonacyclo[17.14.1.02,11.05,10.012,34.013,18.021,33.022,31.023,28]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21(33),22(31),23,25,27,29-hexadecaene (CID 138708900) is 32-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-12,32-diazanonacyclo[17.14.1.02,11.05,10.012,34.013,18.021,33.022,31.023,28]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21(33),22(31),23,25,27,29-hexadecaene.

What is the SMILES notation for 32-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-12,32-diazanonacyclo[17.14.1.02,11.05,10.012,34.013,18.021,33.022,31.023,28]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21(33),22(31),23,25,27,29-hexadecaene?

The canonical SMILES for 32-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-12,32-diazanonacyclo[17.14.1.02,11.05,10.012,34.013,18.021,33.022,31.023,28]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21(33),22(31),23,25,27,29-hexadecaene is c1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6ccc7ccccc7c6c6cc7c8ccccc8n8c9c%10ccccc%10ccc9c(c65)c78)nc5ccccc45)cc32)cc1.

What is the InChIKey of 32-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-12,32-diazanonacyclo[17.14.1.02,11.05,10.012,34.013,18.021,33.022,31.023,28]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21(33),22(31),23,25,27,29-hexadecaene?

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

What are the key properties of 32-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-12,32-diazanonacyclo[17.14.1.02,11.05,10.012,34.013,18.021,33.022,31.023,28]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21(33),22(31),23,25,27,29-hexadecaene?

32-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-12,32-diazanonacyclo[17.14.1.02,11.05,10.012,34.013,18.021,33.022,31.023,28]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21(33),22(31),23,25,27,29-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 32-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-12,32-diazanonacyclo[17.14.1.02,11.05,10.012,34.013,18.021,33.022,31.023,28]tetratriaconta-1(34),2(11),3,5,7,9,13,15,17,19,21(33),22(31),23,25,27,29-hexadecaene is sourced from PubChem (CID 138708900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).