14-(3-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]

C178H108N8 — CID 162197518

About 14-(3-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]

14-(3-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene] (PubChem CID 162197518) has the molecular formula C178H108N8 and a molecular weight of 2358.88 g/mol. Its IUPAC name is 14-(3-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene].

Molecular Properties

• Compound Name: 14-(3-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
• PubChem CID: 162197518
• Molecular Formula: C178H108N8
• Molecular Weight: 2358.88 g/mol
• Exact Mass: 2356.87
• IUPAC Name: 14-(3-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
• SMILES: c1cc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc3ccccc3c3cc4c(cc23)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)c1.c1cc(-c2nc3ccccc3c3cc4c(cc23)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6c6cc7c(cc56)C5(c6ccccc6-c6ccccc65)c5ccccc5-7)cc4)nc(-c4ccccc4)n3)cc2)cc1
• InChI: InChI=1S/C68H41N3.C60H37N3.C50H30N2/c1-9-28-58-47(20-1)48-21-2-10-29-59(48)68(58)60-30-11-3-22-49(60)56-40-55-50-23-4-12-31-62(50)69-67(57(55)41-61(56)68)43-19-17-18-42(36-43)44-37-45(70-63-32-13-5-24-51(63)52-25-6-14-33-64(52)70)39-46(38-44)71-65-34-15-7-26-53(65)54-27-8-16-35-66(54)71;1-3-15-38(16-4-1)39-27-29-40(30-28-39)56-37-57(63-59(62-56)43-17-5-2-6-18-43)41-31-33-42(34-32-41)58-50-36-54-49(35-48(50)47-22-10-14-26-55(47)61-58)46-21-9-13-25-53(46)60(54)51-23-11-7-19-44(51)45-20-8-12-24-52(45)60;1-7-22-42-33(16-1)34-17-2-8-23-43(34)50(42)44-24-9-3-18-35(44)40-29-39-36-19-4-10-25-46(36)51-49(41(39)30-45(40)50)31-14-13-15-32(28-31)52-47-26-11-5-20-37(47)38-21-6-12-27-48(38)52/h1-41H;1-37H;1-30H
• InChIKey: ZRDLBHRHLIIPAQ-UHFFFAOYSA-N
• XLogP: 44.61
• TPSA: 79.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2358.88
LogP ≤ 5	44.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-(3-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]?

The IUPAC name of 14-(3-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene] (CID 162197518) is 14-(3-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene].

What is the SMILES notation for 14-(3-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]?

The canonical SMILES for 14-(3-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene] is c1cc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc3ccccc3c3cc4c(cc23)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)c1.c1cc(-c2nc3ccccc3c3cc4c(cc23)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6c6cc7c(cc56)C5(c6ccccc6-c6ccccc65)c5ccccc5-7)cc4)nc(-c4ccccc4)n3)cc2)cc1.

What is the InChIKey of 14-(3-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]?

The InChIKey is ZRDLBHRHLIIPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H41N3.C60H37N3.C50H30N2/c1-9-28-58-47(20-1)48-21-2-10-29-59(48)68(58)60-30-11-3-22-49(60)56-40-55-50-23-4-12-31-62(50)69-67(57(55)41-61(56)68)43-19-17-18-42(36-43)44-37-45(70-63-32-13-5-24-51(63)52-25-6-14-33-64(52)70)39-46(38-44)71-65-34-15-7-26-53(65)54-27-8-16-35-66(54)71;1-3-15-38(16-4-1)39-27-29-40(30-28-39)56-37-57(63-59(62-56)43-17-5-2-6-18-43)41-31-33-42(34-32-41)58-50-36-54-49(35-48(50)47-22-10-14-26-55(47)61-58)46-21-9-13-25-53(46)60(54)51-23-11-7-19-44(51)45-20-8-12-24-52(45)60;1-7-22-42-33(16-1)34-17-2-8-23-43(34)50(42)44-24-9-3-18-35(44)40-29-39-36-19-4-10-25-46(36)51-49(41(39)30-45(40)50)31-14-13-15-32(28-31)52-47-26-11-5-20-37(47)38-21-6-12-27-48(38)52/h1-41H;1-37H;1-30H.

What are the key properties of 14-(3-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]?

14-(3-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene] has a molecular weight of 2358.88 g/mol, XLogP of 44.61, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(3-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];14-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene] is sourced from PubChem (CID 162197518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).