21-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(5-phenyl-7H-indeno[2,3-b]carbazol-7-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]

C184H113N7 — CID 161313514

About 21-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(5-phenyl-7H-indeno[2,3-b]carbazol-7-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]

21-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(5-phenyl-7H-indeno[2,3-b]carbazol-7-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene] (PubChem CID 161313514) has the molecular formula C184H113N7 and a molecular weight of 2421.98 g/mol. Its IUPAC name is 21-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(5-phenyl-7H-indeno[2,3-b]carbazol-7-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene].

Molecular Properties

• Compound Name: 21-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(5-phenyl-7H-indeno[2,3-b]carbazol-7-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
• PubChem CID: 161313514
• Molecular Formula: C184H113N7
• Molecular Weight: 2421.98 g/mol
• Exact Mass: 2419.91
• IUPAC Name: 21-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(5-phenyl-7H-indeno[2,3-b]carbazol-7-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
• SMILES: CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cccc(-c5nc6ccccc6c6cc7c(cc56)-c5ccccc5C75c6ccccc6-c6ccccc65)c4)c3c21.c1ccc(-n2c3ccccc3c3cc4c(cc32)C(c2cccc(-c3nc5ccccc5c5cc6c(cc35)-c3ccccc3C63c5ccccc5-c5ccccc53)c2)c2ccccc2-4)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cccc(-c6nc7ccccc7c7cc8c(cc67)-c6ccccc6C86c7ccccc7-c7ccccc76)c5)c4c32)cc1
• InChI: InChI=1S/C63H38N2.C62H37N3.C59H38N2/c1-2-19-40(20-3-1)65-59-32-15-10-26-46(59)51-34-48-41-21-4-5-27-47(41)61(52(48)37-60(51)65)38-17-16-18-39(33-38)62-53-35-50-44-24-8-13-30-56(44)63(57(50)36-49(53)45-25-9-14-31-58(45)64-62)54-28-11-6-22-42(54)43-23-7-12-29-55(43)63;1-2-18-39(19-3-1)64-57-31-14-8-25-45(57)47-33-34-48-46-26-9-15-32-58(46)65(61(48)60(47)64)40-20-16-17-38(35-40)59-51-36-50-43-23-6-12-29-54(43)62(55(50)37-49(51)44-24-7-13-30-56(44)63-59)52-27-10-4-21-41(52)42-22-5-11-28-53(42)62;1-58(2)48-24-9-3-20-39(48)43-30-31-44-42-23-8-14-29-54(42)61(57(44)55(43)58)36-17-15-16-35(32-36)56-47-33-46-40-21-6-12-27-51(40)59(52(46)34-45(47)41-22-7-13-28-53(41)60-56)49-25-10-4-18-37(49)38-19-5-11-26-50(38)59/h1-37,61H;1-37H;3-34H,1-2H3
• InChIKey: VJEWMXXQDMIIMY-UHFFFAOYSA-N
• XLogP: 46.05
• TPSA: 58.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2421.98
LogP ≤ 5	46.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 21-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(5-phenyl-7H-indeno[2,3-b]carbazol-7-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]?

The IUPAC name of 21-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(5-phenyl-7H-indeno[2,3-b]carbazol-7-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene] (CID 161313514) is 21-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(5-phenyl-7H-indeno[2,3-b]carbazol-7-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene].

What is the SMILES notation for 21-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(5-phenyl-7H-indeno[2,3-b]carbazol-7-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]?

The canonical SMILES for 21-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(5-phenyl-7H-indeno[2,3-b]carbazol-7-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene] is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cccc(-c5nc6ccccc6c6cc7c(cc56)-c5ccccc5C75c6ccccc6-c6ccccc65)c4)c3c21.c1ccc(-n2c3ccccc3c3cc4c(cc32)C(c2cccc(-c3nc5ccccc5c5cc6c(cc35)-c3ccccc3C63c5ccccc5-c5ccccc53)c2)c2ccccc2-4)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cccc(-c6nc7ccccc7c7cc8c(cc67)-c6ccccc6C86c7ccccc7-c7ccccc76)c5)c4c32)cc1.

What is the InChIKey of 21-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(5-phenyl-7H-indeno[2,3-b]carbazol-7-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]?

The InChIKey is VJEWMXXQDMIIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N2.C62H37N3.C59H38N2/c1-2-19-40(20-3-1)65-59-32-15-10-26-46(59)51-34-48-41-21-4-5-27-47(41)61(52(48)37-60(51)65)38-17-16-18-39(33-38)62-53-35-50-44-24-8-13-30-56(44)63(57(50)36-49(53)45-25-9-14-31-58(45)64-62)54-28-11-6-22-42(54)43-23-7-12-29-55(43)63;1-2-18-39(19-3-1)64-57-31-14-8-25-45(57)47-33-34-48-46-26-9-15-32-58(46)65(61(48)60(47)64)40-20-16-17-38(35-40)59-51-36-50-43-23-6-12-29-54(43)62(55(50)37-49(51)44-24-7-13-30-56(44)63-59)52-27-10-4-21-41(52)42-22-5-11-28-53(42)62;1-58(2)48-24-9-3-20-39(48)43-30-31-44-42-23-8-14-29-54(42)61(57(44)55(43)58)36-17-15-16-35(32-36)56-47-33-46-40-21-6-12-27-51(40)59(52(46)34-45(47)41-22-7-13-28-53(41)60-56)49-25-10-4-18-37(49)38-19-5-11-26-50(38)59/h1-37,61H;1-37H;3-34H,1-2H3.

What are the key properties of 21-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(5-phenyl-7H-indeno[2,3-b]carbazol-7-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]?

21-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(5-phenyl-7H-indeno[2,3-b]carbazol-7-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene] has a molecular weight of 2421.98 g/mol, XLogP of 46.05, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 21-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(5-phenyl-7H-indeno[2,3-b]carbazol-7-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene] is sourced from PubChem (CID 161313514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).