10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]

C187H123N9 — CID 157249791

IUPAC10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5N(c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c5ccccc54)ccc32)cc1.c1ccc(-c2cc(-c3ccccc3)nc(N3c4ccccc4C4(c5ccccc5-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c4ccccc43)c2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6N(c6cc(-c7ccccc7)cc(-c7ccccc7)n6)c6ccccc65)ccc43)cc2)cc1
InChIInChI=1S/C66H43N3.C61H41N3.C60H39N3/c1-4-18-44(19-5-1)46-32-36-51(37-33-46)68-61-29-15-11-25-54(61)55-40-48(35-39-62(55)68)49-34-38-53-52-24-10-12-26-56(52)66(59(53)41-49)57-27-13-16-30-63(57)69(64-31-17-14-28-58(64)66)65-43-50(45-20-6-2-7-21-45)42-60(67-65)47-22-8-3-9-23-47;1-40-28-32-46(33-29-40)63-56-25-13-9-21-49(56)50-36-43(31-35-57(50)63)44-30-34-48-47-20-8-10-22-51(47)61(54(48)37-44)52-23-11-14-26-58(52)64(59-27-15-12-24-53(59)61)60-39-45(41-16-4-2-5-17-41)38-55(62-60)42-18-6-3-7-19-42;1-4-18-40(19-5-1)44-38-54(41-20-6-2-7-21-41)61-59(39-44)63-57-30-16-13-27-51(57)60(52-28-14-17-31-58(52)63)50-26-12-10-24-46(50)47-34-32-43(37-53(47)60)42-33-35-56-49(36-42)48-25-11-15-29-55(48)62(56)45-22-8-3-9-23-45/h1-43H;2-39H,1H3;1-39H
InChIKeyAWFAPYSCCWMNJT-UHFFFAOYSA-N
MW2496.10 g/mol
LogP47.95
Rot. Bonds16

About 10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]

10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene] (PubChem CID 157249791) has the molecular formula C187H123N9 and a molecular weight of 2496.10 g/mol. Its IUPAC name is 10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
PubChem CID157249791
Molecular FormulaC187H123N9
Molecular Weight2496.10 g/mol
Exact Mass2493.99
IUPAC Name10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5N(c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c5ccccc54)ccc32)cc1.c1ccc(-c2cc(-c3ccccc3)nc(N3c4ccccc4C4(c5ccccc5-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c4ccccc43)c2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6N(c6cc(-c7ccccc7)cc(-c7ccccc7)n6)c6ccccc65)ccc43)cc2)cc1
InChIInChI=1S/C66H43N3.C61H41N3.C60H39N3/c1-4-18-44(19-5-1)46-32-36-51(37-33-46)68-61-29-15-11-25-54(61)55-40-48(35-39-62(55)68)49-34-38-53-52-24-10-12-26-56(52)66(59(53)41-49)57-27-13-16-30-63(57)69(64-31-17-14-28-58(64)66)65-43-50(45-20-6-2-7-21-45)42-60(67-65)47-22-8-3-9-23-47;1-40-28-32-46(33-29-40)63-56-25-13-9-21-49(56)50-36-43(31-35-57(50)63)44-30-34-48-47-20-8-10-22-51(47)61(54(48)37-44)52-23-11-14-26-58(52)64(59-27-15-12-24-53(59)61)60-39-45(41-16-4-2-5-17-41)38-55(62-60)42-18-6-3-7-19-42;1-4-18-40(19-5-1)44-38-54(41-20-6-2-7-21-41)61-59(39-44)63-57-30-16-13-27-51(57)60(52-28-14-17-31-58(52)63)50-26-12-10-24-46(50)47-34-32-43(37-53(47)60)42-33-35-56-49(36-42)48-25-11-15-29-55(48)62(56)45-22-8-3-9-23-45/h1-43H;2-39H,1H3;1-39H
InChIKeyAWFAPYSCCWMNJT-UHFFFAOYSA-N
XLogP47.95
TPSA63.18 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms196
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002496.10
LogP ≤ 547.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]?
The IUPAC name of 10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene] (CID 157249791) is 10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene].
What is the SMILES notation for 10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]?
The canonical SMILES for 10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene] is Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5N(c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c5ccccc54)ccc32)cc1.c1ccc(-c2cc(-c3ccccc3)nc(N3c4ccccc4C4(c5ccccc5-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c4ccccc43)c2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6N(c6cc(-c7ccccc7)cc(-c7ccccc7)n6)c6ccccc65)ccc43)cc2)cc1.
What is the InChIKey of 10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]?
The InChIKey is AWFAPYSCCWMNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N3.C61H41N3.C60H39N3/c1-4-18-44(19-5-1)46-32-36-51(37-33-46)68-61-29-15-11-25-54(61)55-40-48(35-39-62(55)68)49-34-38-53-52-24-10-12-26-56(52)66(59(53)41-49)57-27-13-16-30-63(57)69(64-31-17-14-28-58(64)66)65-43-50(45-20-6-2-7-21-45)42-60(67-65)47-22-8-3-9-23-47;1-40-28-32-46(33-29-40)63-56-25-13-9-21-49(56)50-36-43(31-35-57(50)63)44-30-34-48-47-20-8-10-22-51(47)61(54(48)37-44)52-23-11-14-26-58(52)64(59-27-15-12-24-53(59)61)60-39-45(41-16-4-2-5-17-41)38-55(62-60)42-18-6-3-7-19-42;1-4-18-40(19-5-1)44-38-54(41-20-6-2-7-21-41)61-59(39-44)63-57-30-16-13-27-51(57)60(52-28-14-17-31-58(52)63)50-26-12-10-24-46(50)47-34-32-43(37-53(47)60)42-33-35-56-49(36-42)48-25-11-15-29-55(48)62(56)45-22-8-3-9-23-45/h1-43H;2-39H,1H3;1-39H.
What are the key properties of 10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]?
10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene] has a molecular weight of 2496.10 g/mol, XLogP of 47.95, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 157249791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).