26-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene

C50H29N5 — CID 140947079

About 26-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene

26-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene (PubChem CID 140947079) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 26-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene.

Molecular Properties

• Compound Name: 26-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene
• PubChem CID: 140947079
• Molecular Formula: C50H29N5
• Molecular Weight: 699.82 g/mol
• Exact Mass: 699.24
• IUPAC Name: 26-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6cccc7c8cccc9c%10ccccc%10n(c%10cccc5c%10c76)c89)nc5ccccc45)cc32)cc1
• InChI: InChI=1S/C50H29N5/c1-2-13-31(14-3-1)53-40-22-8-5-15-32(40)34-28-27-30(29-45(34)53)48-38-17-4-7-21-39(38)51-50(52-48)55-42-24-11-18-35-37-20-10-19-36-33-16-6-9-23-41(33)54(49(36)37)43-25-12-26-44(55)47(43)46(35)42/h1-29H
• InChIKey: UYCSQYUWVNUWEP-UHFFFAOYSA-N
• XLogP: 12.64
• TPSA: 40.05 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	699.82
LogP ≤ 5	12.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 26-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?

The IUPAC name of 26-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene (CID 140947079) is 26-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene.

What is the SMILES notation for 26-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?

The canonical SMILES for 26-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene is c1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6cccc7c8cccc9c%10ccccc%10n(c%10cccc5c%10c76)c89)nc5ccccc45)cc32)cc1.

What is the InChIKey of 26-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?

The InChIKey is UYCSQYUWVNUWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c1-2-13-31(14-3-1)53-40-22-8-5-15-32(40)34-28-27-30(29-45(34)53)48-38-17-4-7-21-39(38)51-50(52-48)55-42-24-11-18-35-37-20-10-19-36-33-16-6-9-23-41(33)54(49(36)37)43-25-12-26-44(55)47(43)46(35)42/h1-29H.

What are the key properties of 26-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?

26-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene has a molecular weight of 699.82 g/mol, XLogP of 12.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 26-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 140947079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).