1,2,3,4,5,6,7,8-octadeuterio-9-[3,5-dideuterio-6-(1,2,3,4,6,7,8-heptadeuterio-5-methylcarbazol-9-yl)-4-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)-2-pyridinyl]carbazole

C54H35N3 — CID 165021367

About 1,2,3,4,5,6,7,8-octadeuterio-9-[3,5-dideuterio-6-(1,2,3,4,6,7,8-heptadeuterio-5-methylcarbazol-9-yl)-4-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)-2-pyridinyl]carbazole

1,2,3,4,5,6,7,8-octadeuterio-9-[3,5-dideuterio-6-(1,2,3,4,6,7,8-heptadeuterio-5-methylcarbazol-9-yl)-4-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)-2-pyridinyl]carbazole (PubChem CID 165021367) has the molecular formula C54H35N3 and a molecular weight of 758.09 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[3,5-dideuterio-6-(1,2,3,4,6,7,8-heptadeuterio-5-methylcarbazol-9-yl)-4-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[3,5-dideuterio-6-(1,2,3,4,6,7,8-heptadeuterio-5-methylcarbazol-9-yl)-4-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)-2-pyridinyl]carbazole
• PubChem CID: 165021367
• Molecular Formula: C54H35N3
• Molecular Weight: 758.09 g/mol
• Exact Mass: 757.48
• IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[3,5-dideuterio-6-(1,2,3,4,6,7,8-heptadeuterio-5-methylcarbazol-9-yl)-4-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)-2-pyridinyl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c([2H])c([2H])c1-c1c([2H])c([2H])c(-c3c([2H])c(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)nc(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c(C)c([2H])c([2H])c([2H])c54)c3[2H])c([2H])c1-c1c([2H])c([2H])c([2H])c([2H])c1-2
• InChI: InChI=1S/C54H35N3/c1-34-15-14-28-51-54(34)46-24-10-13-27-50(46)57(51)53-33-36(32-52(55-53)56-48-25-11-8-22-44(48)45-23-9-12-26-49(45)56)35-29-30-43-41-20-5-4-18-39(41)37-16-2-3-17-38(37)40-19-6-7-21-42(40)47(43)31-35/h2-33H,1H3/b39-37-,40-38-,43-41-,47-42-/i2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D
• InChIKey: JCLGOZRGZSRTPS-WQFGOJKDSA-N
• XLogP: 14.23
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	758.09
LogP ≤ 5	14.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[3,5-dideuterio-6-(1,2,3,4,6,7,8-heptadeuterio-5-methylcarbazol-9-yl)-4-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)-2-pyridinyl]carbazole?

The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[3,5-dideuterio-6-(1,2,3,4,6,7,8-heptadeuterio-5-methylcarbazol-9-yl)-4-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)-2-pyridinyl]carbazole (CID 165021367) is 1,2,3,4,5,6,7,8-octadeuterio-9-[3,5-dideuterio-6-(1,2,3,4,6,7,8-heptadeuterio-5-methylcarbazol-9-yl)-4-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)-2-pyridinyl]carbazole.

What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-[3,5-dideuterio-6-(1,2,3,4,6,7,8-heptadeuterio-5-methylcarbazol-9-yl)-4-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)-2-pyridinyl]carbazole?

The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[3,5-dideuterio-6-(1,2,3,4,6,7,8-heptadeuterio-5-methylcarbazol-9-yl)-4-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)-2-pyridinyl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c([2H])c([2H])c1-c1c([2H])c([2H])c(-c3c([2H])c(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)nc(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c(C)c([2H])c([2H])c([2H])c54)c3[2H])c([2H])c1-c1c([2H])c([2H])c([2H])c([2H])c1-2.

What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-[3,5-dideuterio-6-(1,2,3,4,6,7,8-heptadeuterio-5-methylcarbazol-9-yl)-4-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)-2-pyridinyl]carbazole?

The InChIKey is JCLGOZRGZSRTPS-WQFGOJKDSA-N. The full InChI is InChI=1S/C54H35N3/c1-34-15-14-28-51-54(34)46-24-10-13-27-50(46)57(51)53-33-36(32-52(55-53)56-48-25-11-8-22-44(48)45-23-9-12-26-49(45)56)35-29-30-43-41-20-5-4-18-39(41)37-16-2-3-17-38(37)40-19-6-7-21-42(40)47(43)31-35/h2-33H,1H3/b39-37-,40-38-,43-41-,47-42-/i2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D.

What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-[3,5-dideuterio-6-(1,2,3,4,6,7,8-heptadeuterio-5-methylcarbazol-9-yl)-4-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)-2-pyridinyl]carbazole?

1,2,3,4,5,6,7,8-octadeuterio-9-[3,5-dideuterio-6-(1,2,3,4,6,7,8-heptadeuterio-5-methylcarbazol-9-yl)-4-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)-2-pyridinyl]carbazole has a molecular weight of 758.09 g/mol, XLogP of 14.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,7,8-octadeuterio-9-[3,5-dideuterio-6-(1,2,3,4,6,7,8-heptadeuterio-5-methylcarbazol-9-yl)-4-(1,3,4,5,6,7,8,9,10,11,12,13,14,15,16-pentadecadeuteriotetraphenylen-2-yl)-2-pyridinyl]carbazole is sourced from PubChem (CID 165021367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).