6,9-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene

C86H56N6 — CID 134428145

About 6,9-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene

6,9-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene (PubChem CID 134428145) has the molecular formula C86H56N6 and a molecular weight of 1173.44 g/mol. Its IUPAC name is 6,9-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene.

Molecular Properties

• Compound Name: 6,9-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene
• PubChem CID: 134428145
• Molecular Formula: C86H56N6
• Molecular Weight: 1173.44 g/mol
• Exact Mass: 1172.46
• IUPAC Name: 6,9-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene
• SMILES: c1ccc(N2CCN(c3ccccc3)c3cc4c(cc32)-c2ccccc2-c2cccc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)c2-c2c-4cccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
• InChI: InChI=1S/C86H56N6/c1-3-23-55(24-4-1)87-49-50-88(56-25-5-2-6-26-56)84-54-70-68-36-22-44-82(92-78-42-20-14-34-66(78)72-52-58(46-48-80(72)92)90-75-39-17-11-31-63(75)64-32-12-18-40-76(64)90)86(68)85-67(59-27-7-8-28-60(59)69(70)53-83(84)87)35-21-43-81(85)91-77-41-19-13-33-65(77)71-51-57(45-47-79(71)91)89-73-37-15-9-29-61(73)62-30-10-16-38-74(62)89/h1-48,51-54H,49-50H2/b67-59-,69-60-,70-68-,86-85-
• InChIKey: CYDILHUYINRIEJ-VKOLPZJLSA-N
• XLogP: 22.35
• TPSA: 26.20 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1173.44
LogP ≤ 5	22.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6,9-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene?

The IUPAC name of 6,9-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene (CID 134428145) is 6,9-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene.

What is the SMILES notation for 6,9-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene?

The canonical SMILES for 6,9-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene is c1ccc(N2CCN(c3ccccc3)c3cc4c(cc32)-c2ccccc2-c2cccc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)c2-c2c-4cccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.

What is the InChIKey of 6,9-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene?

The InChIKey is CYDILHUYINRIEJ-VKOLPZJLSA-N. The full InChI is InChI=1S/C86H56N6/c1-3-23-55(24-4-1)87-49-50-88(56-25-5-2-6-26-56)84-54-70-68-36-22-44-82(92-78-42-20-14-34-66(78)72-52-58(46-48-80(72)92)90-75-39-17-11-31-63(75)64-32-12-18-40-76(64)90)86(68)85-67(59-27-7-8-28-60(59)69(70)53-83(84)87)35-21-43-81(85)91-77-41-19-13-33-65(77)71-51-57(45-47-79(71)91)89-73-37-15-9-29-61(73)62-30-10-16-38-74(62)89/h1-48,51-54H,49-50H2/b67-59-,69-60-,70-68-,86-85-.

What are the key properties of 6,9-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene?

6,9-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene has a molecular weight of 1173.44 g/mol, XLogP of 22.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6,9-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene is sourced from PubChem (CID 134428145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).