12-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

C53H35N3 — CID 139362236

About 12-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

12-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (PubChem CID 139362236) has the molecular formula C53H35N3 and a molecular weight of 713.88 g/mol. Its IUPAC name is 12-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.

Molecular Properties

• Compound Name: 12-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
• PubChem CID: 139362236
• Molecular Formula: C53H35N3
• Molecular Weight: 713.88 g/mol
• Exact Mass: 713.28
• IUPAC Name: 12-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-n5c6cc7ccccc7cc6c6c7ccccc7ccc65)c5ccccc45)nc4ccccc34)cc21
• InChI: InChI=1S/C53H35N3/c1-53(2)44-21-11-9-18-38(44)39-25-23-35(30-45(39)53)51-42-20-10-12-22-46(42)54-52(55-51)41-26-28-47(40-19-8-7-17-37(40)41)56-48-27-24-32-13-5-6-16-36(32)50(48)43-29-33-14-3-4-15-34(33)31-49(43)56/h3-31H,1-2H3
• InChIKey: NZQNZPNBGAXCJX-UHFFFAOYSA-N
• XLogP: 13.83
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.88
LogP ≤ 5	13.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 12-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

The IUPAC name of 12-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (CID 139362236) is 12-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.

What is the SMILES notation for 12-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

The canonical SMILES for 12-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-n5c6cc7ccccc7cc6c6c7ccccc7ccc65)c5ccccc45)nc4ccccc34)cc21.

What is the InChIKey of 12-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

The InChIKey is NZQNZPNBGAXCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3/c1-53(2)44-21-11-9-18-38(44)39-25-23-35(30-45(39)53)51-42-20-10-12-22-46(42)54-52(55-51)41-26-28-47(40-19-8-7-17-37(40)41)56-48-27-24-32-13-5-6-16-36(32)50(48)43-29-33-14-3-4-15-34(33)31-49(43)56/h3-31H,1-2H3.

What are the key properties of 12-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

12-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene has a molecular weight of 713.88 g/mol, XLogP of 13.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is sourced from PubChem (CID 139362236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).