4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

C50H33N3 — CID 122537534

About 4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (PubChem CID 122537534) has the molecular formula C50H33N3 and a molecular weight of 675.84 g/mol. Its IUPAC name is 4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

Molecular Properties

• Compound Name: 4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
• PubChem CID: 122537534
• Molecular Formula: C50H33N3
• Molecular Weight: 675.84 g/mol
• Exact Mass: 675.27
• IUPAC Name: 4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5cccc(-c6ccc7c8cccc9c%10ccccc%10n(c7c6)c98)n5)ccc43)cc21
• InChI: InChI=1S/C50H33N3/c1-50(2)41-16-6-3-11-33(41)34-25-23-32(29-42(34)50)52-45-19-7-5-13-36(45)40-27-30(22-26-47(40)52)43-17-10-18-44(51-43)31-21-24-37-39-15-9-14-38-35-12-4-8-20-46(35)53(49(38)39)48(37)28-31/h3-29H,1-2H3
• InChIKey: UIDDMWUUAYHHCF-UHFFFAOYSA-N
• XLogP: 12.97
• TPSA: 22.23 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.84
LogP ≤ 5	12.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

The IUPAC name of 4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (CID 122537534) is 4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

What is the SMILES notation for 4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

The canonical SMILES for 4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5cccc(-c6ccc7c8cccc9c%10ccccc%10n(c7c6)c98)n5)ccc43)cc21.

What is the InChIKey of 4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

The InChIKey is UIDDMWUUAYHHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3/c1-50(2)41-16-6-3-11-33(41)34-25-23-32(29-42(34)50)52-45-19-7-5-13-36(45)40-27-30(22-26-47(40)52)43-17-10-18-44(51-43)31-21-24-37-39-15-9-14-38-35-12-4-8-20-46(35)53(49(38)39)48(37)28-31/h3-29H,1-2H3.

What are the key properties of 4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene has a molecular weight of 675.84 g/mol, XLogP of 12.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2-pyridinyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 122537534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).