10,17-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-3,23,26-triazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27),24-tridecaene

C85H53N7 — CID 134428301

About 10,17-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-3,23,26-triazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27),24-tridecaene

10,17-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-3,23,26-triazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27),24-tridecaene (PubChem CID 134428301) has the molecular formula C85H53N7 and a molecular weight of 1172.41 g/mol. Its IUPAC name is 10,17-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-3,23,26-triazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27),24-tridecaene.

Molecular Properties

• Compound Name: 10,17-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-3,23,26-triazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27),24-tridecaene
• PubChem CID: 134428301
• Molecular Formula: C85H53N7
• Molecular Weight: 1172.41 g/mol
• Exact Mass: 1171.44
• IUPAC Name: 10,17-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-3,23,26-triazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27),24-tridecaene
• SMILES: c1ccc(-n2ccn(-c3ccccc3)c3cc4c(cc32)c2cc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)ccc2c2ccc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)cc2c2cccnc24)cc1
• InChI: InChI=1S/C85H53N7/c1-3-20-54(21-4-1)87-46-47-88(55-22-5-2-6-23-55)84-53-74-71(52-83(84)87)70-49-57(92-80-36-18-12-29-67(80)73-51-59(40-44-82(73)92)90-77-33-15-9-26-64(77)65-27-10-16-34-78(65)90)38-42-61(70)60-41-37-56(48-69(60)68-30-19-45-86-85(68)74)91-79-35-17-11-28-66(79)72-50-58(39-43-81(72)91)89-75-31-13-7-24-62(75)63-25-8-14-32-76(63)89/h1-53H/b61-60-,69-68-,71-70-,85-74+
• InChIKey: RHIGZCLGTLOJGS-PPRYDQFPSA-N
• XLogP: 21.94
• TPSA: 42.47 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1172.41
LogP ≤ 5	21.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 10,17-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-3,23,26-triazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27),24-tridecaene?

The IUPAC name of 10,17-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-3,23,26-triazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27),24-tridecaene (CID 134428301) is 10,17-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-3,23,26-triazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27),24-tridecaene.

What is the SMILES notation for 10,17-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-3,23,26-triazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27),24-tridecaene?

The canonical SMILES for 10,17-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-3,23,26-triazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27),24-tridecaene is c1ccc(-n2ccn(-c3ccccc3)c3cc4c(cc32)c2cc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)ccc2c2ccc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)cc2c2cccnc24)cc1.

What is the InChIKey of 10,17-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-3,23,26-triazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27),24-tridecaene?

The InChIKey is RHIGZCLGTLOJGS-PPRYDQFPSA-N. The full InChI is InChI=1S/C85H53N7/c1-3-20-54(21-4-1)87-46-47-88(55-22-5-2-6-23-55)84-53-74-71(52-83(84)87)70-49-57(92-80-36-18-12-29-67(80)73-51-59(40-44-82(73)92)90-77-33-15-9-26-64(77)65-27-10-16-34-78(65)90)38-42-61(70)60-41-37-56(48-69(60)68-30-19-45-86-85(68)74)91-79-35-17-11-28-66(79)72-50-58(39-43-81(72)91)89-75-31-13-7-24-62(75)63-25-8-14-32-76(63)89/h1-53H/b61-60-,69-68-,71-70-,85-74+.

What are the key properties of 10,17-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-3,23,26-triazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27),24-tridecaene?

10,17-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-3,23,26-triazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27),24-tridecaene has a molecular weight of 1172.41 g/mol, XLogP of 21.94, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 10,17-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-3,23,26-triazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27),24-tridecaene is sourced from PubChem (CID 134428301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).