7,18-ditert-butyl-24-carbazol-9-yl-10-[2,6-di(cyclohex-3-en-1-yl)cyclohex-2-en-1-yl]-15,21-bis(2-phenylphenyl)-10,15,21-triazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4(9),5,7,12,16(28),17,19,22(27),23,25-dodecaene

C87H80N4 — CID 177082483

About 7,18-ditert-butyl-24-carbazol-9-yl-10-[2,6-di(cyclohex-3-en-1-yl)cyclohex-2-en-1-yl]-15,21-bis(2-phenylphenyl)-10,15,21-triazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4(9),5,7,12,16(28),17,19,22(27),23,25-dodecaene

7,18-ditert-butyl-24-carbazol-9-yl-10-[2,6-di(cyclohex-3-en-1-yl)cyclohex-2-en-1-yl]-15,21-bis(2-phenylphenyl)-10,15,21-triazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4(9),5,7,12,16(28),17,19,22(27),23,25-dodecaene (PubChem CID 177082483) has the molecular formula C87H80N4 and a molecular weight of 1181.62 g/mol. Its IUPAC name is 7,18-ditert-butyl-24-carbazol-9-yl-10-[2,6-di(cyclohex-3-en-1-yl)cyclohex-2-en-1-yl]-15,21-bis(2-phenylphenyl)-10,15,21-triazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4(9),5,7,12,16(28),17,19,22(27),23,25-dodecaene.

Molecular Properties

• Compound Name: 7,18-ditert-butyl-24-carbazol-9-yl-10-[2,6-di(cyclohex-3-en-1-yl)cyclohex-2-en-1-yl]-15,21-bis(2-phenylphenyl)-10,15,21-triazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4(9),5,7,12,16(28),17,19,22(27),23,25-dodecaene
• PubChem CID: 177082483
• Molecular Formula: C87H80N4
• Molecular Weight: 1181.62 g/mol
• Exact Mass: 1180.64
• IUPAC Name: 7,18-ditert-butyl-24-carbazol-9-yl-10-[2,6-di(cyclohex-3-en-1-yl)cyclohex-2-en-1-yl]-15,21-bis(2-phenylphenyl)-10,15,21-triazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4(9),5,7,12,16(28),17,19,22(27),23,25-dodecaene
• SMILES: CC(C)(C)c1cc2c3c(c1)N(c1ccccc1-c1ccccc1)c1ccc4c(c1C3c1ccc(-n3c5ccccc5c5ccccc53)cc1N2c1ccccc1-c1ccccc1)c1ccc(C(C)(C)C)cc1n4C1C(C2CC=CCC2)=CCCC1C1CC=CCC1
• InChI: InChI=1S/C87H80N4/c1-86(2,3)60-46-48-69-77(52-60)91(85-65(58-32-15-9-16-33-58)40-27-41-66(85)59-34-17-10-18-35-59)75-50-51-76-84(81(69)75)82-70-49-47-62(88-73-44-25-21-38-67(73)68-39-22-26-45-74(68)88)55-78(70)90(72-43-24-20-37-64(72)57-30-13-8-14-31-57)80-54-61(87(4,5)6)53-79(83(80)82)89(76)71-42-23-19-36-63(71)56-28-11-7-12-29-56/h7-15,17,19-26,28-31,36-40,42-55,58-59,66,82,85H,16,18,27,32-35,41H2,1-6H3
• InChIKey: LOBGBQOKQDBRRK-UHFFFAOYSA-N
• XLogP: 24.16
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1181.62
LogP ≤ 5	24.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7,18-ditert-butyl-24-carbazol-9-yl-10-[2,6-di(cyclohex-3-en-1-yl)cyclohex-2-en-1-yl]-15,21-bis(2-phenylphenyl)-10,15,21-triazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4(9),5,7,12,16(28),17,19,22(27),23,25-dodecaene?

The IUPAC name of 7,18-ditert-butyl-24-carbazol-9-yl-10-[2,6-di(cyclohex-3-en-1-yl)cyclohex-2-en-1-yl]-15,21-bis(2-phenylphenyl)-10,15,21-triazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4(9),5,7,12,16(28),17,19,22(27),23,25-dodecaene (CID 177082483) is 7,18-ditert-butyl-24-carbazol-9-yl-10-[2,6-di(cyclohex-3-en-1-yl)cyclohex-2-en-1-yl]-15,21-bis(2-phenylphenyl)-10,15,21-triazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4(9),5,7,12,16(28),17,19,22(27),23,25-dodecaene.

What is the SMILES notation for 7,18-ditert-butyl-24-carbazol-9-yl-10-[2,6-di(cyclohex-3-en-1-yl)cyclohex-2-en-1-yl]-15,21-bis(2-phenylphenyl)-10,15,21-triazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4(9),5,7,12,16(28),17,19,22(27),23,25-dodecaene?

The canonical SMILES for 7,18-ditert-butyl-24-carbazol-9-yl-10-[2,6-di(cyclohex-3-en-1-yl)cyclohex-2-en-1-yl]-15,21-bis(2-phenylphenyl)-10,15,21-triazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4(9),5,7,12,16(28),17,19,22(27),23,25-dodecaene is CC(C)(C)c1cc2c3c(c1)N(c1ccccc1-c1ccccc1)c1ccc4c(c1C3c1ccc(-n3c5ccccc5c5ccccc53)cc1N2c1ccccc1-c1ccccc1)c1ccc(C(C)(C)C)cc1n4C1C(C2CC=CCC2)=CCCC1C1CC=CCC1.

What is the InChIKey of 7,18-ditert-butyl-24-carbazol-9-yl-10-[2,6-di(cyclohex-3-en-1-yl)cyclohex-2-en-1-yl]-15,21-bis(2-phenylphenyl)-10,15,21-triazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4(9),5,7,12,16(28),17,19,22(27),23,25-dodecaene?

The InChIKey is LOBGBQOKQDBRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H80N4/c1-86(2,3)60-46-48-69-77(52-60)91(85-65(58-32-15-9-16-33-58)40-27-41-66(85)59-34-17-10-18-35-59)75-50-51-76-84(81(69)75)82-70-49-47-62(88-73-44-25-21-38-67(73)68-39-22-26-45-74(68)88)55-78(70)90(72-43-24-20-37-64(72)57-30-13-8-14-31-57)80-54-61(87(4,5)6)53-79(83(80)82)89(76)71-42-23-19-36-63(71)56-28-11-7-12-29-56/h7-15,17,19-26,28-31,36-40,42-55,58-59,66,82,85H,16,18,27,32-35,41H2,1-6H3.

What are the key properties of 7,18-ditert-butyl-24-carbazol-9-yl-10-[2,6-di(cyclohex-3-en-1-yl)cyclohex-2-en-1-yl]-15,21-bis(2-phenylphenyl)-10,15,21-triazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4(9),5,7,12,16(28),17,19,22(27),23,25-dodecaene?

7,18-ditert-butyl-24-carbazol-9-yl-10-[2,6-di(cyclohex-3-en-1-yl)cyclohex-2-en-1-yl]-15,21-bis(2-phenylphenyl)-10,15,21-triazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4(9),5,7,12,16(28),17,19,22(27),23,25-dodecaene has a molecular weight of 1181.62 g/mol, XLogP of 24.16, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7,18-ditert-butyl-24-carbazol-9-yl-10-[2,6-di(cyclohex-3-en-1-yl)cyclohex-2-en-1-yl]-15,21-bis(2-phenylphenyl)-10,15,21-triazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4(9),5,7,12,16(28),17,19,22(27),23,25-dodecaene is sourced from PubChem (CID 177082483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).