15-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene

C50H28N4 — CID 162770146

About 15-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene

15-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene (PubChem CID 162770146) has the molecular formula C50H28N4 and a molecular weight of 684.80 g/mol. Its IUPAC name is 15-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene.

Molecular Properties

• Compound Name: 15-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene
• PubChem CID: 162770146
• Molecular Formula: C50H28N4
• Molecular Weight: 684.80 g/mol
• Exact Mass: 684.23
• IUPAC Name: 15-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6ccc7cccc8c7c6c6c7c(ccc9cccc-8c97)ccc65)nc5ccccc45)cc32)cc1
• InChI: InChI=1S/C50H28N4/c1-2-12-33(13-3-1)53-40-19-7-5-14-34(40)35-25-22-32(28-43(35)53)49-38-15-4-6-18-39(38)51-50(52-49)54-41-26-23-30-11-9-17-37-36-16-8-10-29-20-21-31-24-27-42(54)48(46(31)44(29)36)47(41)45(30)37/h1-28H
• InChIKey: WGSGCCDUMRBLFT-UHFFFAOYSA-N
• XLogP: 12.93
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	684.80
LogP ≤ 5	12.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 15-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene?

The IUPAC name of 15-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene (CID 162770146) is 15-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene.

What is the SMILES notation for 15-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene?

The canonical SMILES for 15-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene is c1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6ccc7cccc8c7c6c6c7c(ccc9cccc-8c97)ccc65)nc5ccccc45)cc32)cc1.

What is the InChIKey of 15-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene?

The InChIKey is WGSGCCDUMRBLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N4/c1-2-12-33(13-3-1)53-40-19-7-5-14-34(40)35-25-22-32(28-43(35)53)49-38-15-4-6-18-39(38)51-50(52-49)54-41-26-23-30-11-9-17-37-36-16-8-10-29-20-21-31-24-27-42(54)48(46(31)44(29)36)47(41)45(30)37/h1-28H.

What are the key properties of 15-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene?

15-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene has a molecular weight of 684.80 g/mol, XLogP of 12.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene is sourced from PubChem (CID 162770146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).