21-[3-(9,9-diphenylfluoren-2-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-[4-(3-diphenylphosphorylphenyl)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-(10-naphthalen-2-ylanthracen-9-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]

C181H112N3OP — CID 158167679

About 21-[3-(9,9-diphenylfluoren-2-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-[4-(3-diphenylphosphorylphenyl)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-(10-naphthalen-2-ylanthracen-9-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-(9,9-diphenylfluoren-2-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-[4-(3-diphenylphosphorylphenyl)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-(10-naphthalen-2-ylanthracen-9-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 158167679) has the molecular formula C181H112N3OP and a molecular weight of 2375.88 g/mol. Its IUPAC name is 21-[3-(9,9-diphenylfluoren-2-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-[4-(3-diphenylphosphorylphenyl)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-(10-naphthalen-2-ylanthracen-9-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-(9,9-diphenylfluoren-2-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-[4-(3-diphenylphosphorylphenyl)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-(10-naphthalen-2-ylanthracen-9-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: 158167679
• Molecular Formula: C181H112N3OP
• Molecular Weight: 2375.88 g/mol
• Exact Mass: 2373.85
• IUPAC Name: 21-[3-(9,9-diphenylfluoren-2-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-[4-(3-diphenylphosphorylphenyl)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-(10-naphthalen-2-ylanthracen-9-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: O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2ccc(-c3nc4ccccc4c4cc5c(cc34)-c3ccccc3C53c4ccccc4-c4ccccc43)cc2)c1.c1cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc(-c2nc3ccccc3c3cc4c(cc23)-c2ccccc2C42c3ccccc3-c3ccccc32)c1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(-c5nc6ccccc6c6cc7c(cc56)-c5ccccc5C75c6ccccc6-c6ccccc65)c4)cc32)cc1
• InChI: InChI=1S/C63H39N.C62H37N.C56H36NOP/c1-3-20-43(21-4-1)62(44-22-5-2-6-23-44)54-29-12-7-26-47(54)49-35-34-41(37-58(49)62)40-18-17-19-42(36-40)61-53-38-52-48-27-10-15-32-57(48)63(59(52)39-51(53)50-28-11-16-33-60(50)64-61)55-30-13-8-24-45(55)46-25-9-14-31-56(46)63;1-2-17-39-34-41(33-32-38(39)16-1)60-49-26-5-3-24-47(49)59(48-25-4-6-27-50(48)60)40-18-15-19-42(35-40)61-53-36-52-45-22-9-13-30-56(45)62(57(52)37-51(53)46-23-10-14-31-58(46)63-61)54-28-11-7-20-43(54)44-21-8-12-29-55(44)62;58-59(40-17-3-1-4-18-40,41-19-5-2-6-20-41)42-21-15-16-39(34-42)37-30-32-38(33-31-37)55-49-35-48-45-24-9-13-28-52(45)56(53(48)36-47(49)46-25-10-14-29-54(46)57-55)50-26-11-7-22-43(50)44-23-8-12-27-51(44)56/h1-39H;1-37H;1-36H
• InChIKey: FXAWTJGHYKHHKD-UHFFFAOYSA-N
• XLogP: 44.33
• TPSA: 55.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2375.88
LogP ≤ 5	44.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 21-[3-(9,9-diphenylfluoren-2-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-[4-(3-diphenylphosphorylphenyl)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-(10-naphthalen-2-ylanthracen-9-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-(9,9-diphenylfluoren-2-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-[4-(3-diphenylphosphorylphenyl)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-(10-naphthalen-2-ylanthracen-9-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 158167679) is 21-[3-(9,9-diphenylfluoren-2-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-[4-(3-diphenylphosphorylphenyl)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-(10-naphthalen-2-ylanthracen-9-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-(9,9-diphenylfluoren-2-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-[4-(3-diphenylphosphorylphenyl)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-(10-naphthalen-2-ylanthracen-9-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-(9,9-diphenylfluoren-2-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-[4-(3-diphenylphosphorylphenyl)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-(10-naphthalen-2-ylanthracen-9-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 O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2ccc(-c3nc4ccccc4c4cc5c(cc34)-c3ccccc3C53c4ccccc4-c4ccccc43)cc2)c1.c1cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc(-c2nc3ccccc3c3cc4c(cc23)-c2ccccc2C42c3ccccc3-c3ccccc32)c1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(-c5nc6ccccc6c6cc7c(cc56)-c5ccccc5C75c6ccccc6-c6ccccc65)c4)cc32)cc1.

What is the InChIKey of 21-[3-(9,9-diphenylfluoren-2-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-[4-(3-diphenylphosphorylphenyl)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-(10-naphthalen-2-ylanthracen-9-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 FXAWTJGHYKHHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N.C62H37N.C56H36NOP/c1-3-20-43(21-4-1)62(44-22-5-2-6-23-44)54-29-12-7-26-47(54)49-35-34-41(37-58(49)62)40-18-17-19-42(36-40)61-53-38-52-48-27-10-15-32-57(48)63(59(52)39-51(53)50-28-11-16-33-60(50)64-61)55-30-13-8-24-45(55)46-25-9-14-31-56(46)63;1-2-17-39-34-41(33-32-38(39)16-1)60-49-26-5-3-24-47(49)59(48-25-4-6-27-50(48)60)40-18-15-19-42(35-40)61-53-36-52-45-22-9-13-30-56(45)62(57(52)37-51(53)46-23-10-14-31-58(46)63-61)54-28-11-7-20-43(54)44-21-8-12-29-55(44)62;58-59(40-17-3-1-4-18-40,41-19-5-2-6-20-41)42-21-15-16-39(34-42)37-30-32-38(33-31-37)55-49-35-48-45-24-9-13-28-52(45)56(53(48)36-47(49)46-25-10-14-29-54(46)57-55)50-26-11-7-22-43(50)44-23-8-12-27-51(44)56/h1-39H;1-37H;1-36H.

What are the key properties of 21-[3-(9,9-diphenylfluoren-2-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-[4-(3-diphenylphosphorylphenyl)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-(10-naphthalen-2-ylanthracen-9-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-(9,9-diphenylfluoren-2-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-[4-(3-diphenylphosphorylphenyl)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-(10-naphthalen-2-ylanthracen-9-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 2375.88 g/mol, XLogP of 44.33, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 21-[3-(9,9-diphenylfluoren-2-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-[4-(3-diphenylphosphorylphenyl)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-(10-naphthalen-2-ylanthracen-9-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 158167679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).