14-(9,9-dimethylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-diphenylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9-phenylcarbazol-3-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene

C205H126N10O3 — CID 157175600

About 14-(9,9-dimethylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-diphenylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9-phenylcarbazol-3-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene

14-(9,9-dimethylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-diphenylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9-phenylcarbazol-3-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene (PubChem CID 157175600) has the molecular formula C205H126N10O3 and a molecular weight of 2777.33 g/mol. Its IUPAC name is 14-(9,9-dimethylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-diphenylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9-phenylcarbazol-3-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 14-(9,9-dimethylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-diphenylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9-phenylcarbazol-3-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
• PubChem CID: 157175600
• Molecular Formula: C205H126N10O3
• Molecular Weight: 2777.33 g/mol
• Exact Mass: 2775.00
• IUPAC Name: 14-(9,9-dimethylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-diphenylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9-phenylcarbazol-3-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc4ccccc4c4c3cc(-n3c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc53)c3oc5ccccc5c34)cc21.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc5c(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)nc6ccccc6c5c5c4oc4ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc6ccccc6c5c5c4oc4ccccc45)ccc32)cc1
• InChI: InChI=1S/C74H45N3O.C67H40N4O.C64H41N3O/c1-4-20-49(21-5-1)74(50-22-6-2-7-23-50)61-31-15-10-26-52(61)53-39-36-48(44-62(53)74)72-60-45-68(73-71(57-30-14-19-35-69(57)78-73)70(60)56-29-11-16-32-63(56)75-72)77-65-34-18-13-28-55(65)59-43-47(38-41-67(59)77)46-37-40-66-58(42-46)54-27-12-17-33-64(54)76(66)51-24-8-3-9-25-51;1-3-17-44(18-4-1)69-56-27-13-8-21-46(56)51-37-41(31-34-59(51)69)42-32-35-61-52(38-42)48-23-10-15-29-58(48)71(61)62-40-54-64(65-50-25-11-16-30-63(50)72-67(62)65)49-24-7-12-26-55(49)68-66(54)43-33-36-60-53(39-43)47-22-9-14-28-57(47)70(60)45-19-5-2-6-20-45;1-64(2)51-23-11-6-18-42(51)43-31-28-40(36-52(43)64)62-50-37-58(63-61(47-22-10-15-27-59(47)68-63)60(50)46-21-7-12-24-53(46)65-62)67-55-26-14-9-20-45(55)49-35-39(30-33-57(49)67)38-29-32-56-48(34-38)44-19-8-13-25-54(44)66(56)41-16-4-3-5-17-41/h1-45H;1-40H;3-37H,1-2H3
• InChIKey: ANYRBYWCNSSPCG-UHFFFAOYSA-N
• XLogP: 54.21
• TPSA: 112.60 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2777.33
LogP ≤ 5	54.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-(9,9-dimethylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-diphenylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9-phenylcarbazol-3-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

The IUPAC name of 14-(9,9-dimethylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-diphenylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9-phenylcarbazol-3-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene (CID 157175600) is 14-(9,9-dimethylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-diphenylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9-phenylcarbazol-3-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene.

What is the SMILES notation for 14-(9,9-dimethylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-diphenylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9-phenylcarbazol-3-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

The canonical SMILES for 14-(9,9-dimethylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-diphenylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9-phenylcarbazol-3-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene is CC1(C)c2ccccc2-c2ccc(-c3nc4ccccc4c4c3cc(-n3c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc53)c3oc5ccccc5c34)cc21.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc5c(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)nc6ccccc6c5c5c4oc4ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cc5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc6ccccc6c5c5c4oc4ccccc45)ccc32)cc1.

What is the InChIKey of 14-(9,9-dimethylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-diphenylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9-phenylcarbazol-3-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

The InChIKey is ANYRBYWCNSSPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H45N3O.C67H40N4O.C64H41N3O/c1-4-20-49(21-5-1)74(50-22-6-2-7-23-50)61-31-15-10-26-52(61)53-39-36-48(44-62(53)74)72-60-45-68(73-71(57-30-14-19-35-69(57)78-73)70(60)56-29-11-16-32-63(56)75-72)77-65-34-18-13-28-55(65)59-43-47(38-41-67(59)77)46-37-40-66-58(42-46)54-27-12-17-33-64(54)76(66)51-24-8-3-9-25-51;1-3-17-44(18-4-1)69-56-27-13-8-21-46(56)51-37-41(31-34-59(51)69)42-32-35-61-52(38-42)48-23-10-15-29-58(48)71(61)62-40-54-64(65-50-25-11-16-30-63(50)72-67(62)65)49-24-7-12-26-55(49)68-66(54)43-33-36-60-53(39-43)47-22-9-14-28-57(47)70(60)45-19-5-2-6-20-45;1-64(2)51-23-11-6-18-42(51)43-31-28-40(36-52(43)64)62-50-37-58(63-61(47-22-10-15-27-59(47)68-63)60(50)46-21-7-12-24-53(46)65-62)67-55-26-14-9-20-45(55)49-35-39(30-33-57(49)67)38-29-32-56-48(34-38)44-19-8-13-25-54(44)66(56)41-16-4-3-5-17-41/h1-45H;1-40H;3-37H,1-2H3.

What are the key properties of 14-(9,9-dimethylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-diphenylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9-phenylcarbazol-3-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

14-(9,9-dimethylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-diphenylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9-phenylcarbazol-3-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene has a molecular weight of 2777.33 g/mol, XLogP of 54.21, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(9,9-dimethylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-diphenylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9-phenylcarbazol-3-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene is sourced from PubChem (CID 157175600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).