[4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole

C231H156N4O4 — CID 160508928

IUPAC[4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc2c(c1)C1(c3cc(C=C(c4ccccc4)c4ccccc4)ccc3-2)c2cc(C=C(c3ccccc3)c3ccccc3)ccc2-c2ccc(C=C(c3ccccc3)c3ccccc3)cc21.COc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccc(CO)cc7)cc6)ccc5-4)c4cc(-c5ccc(-c6ccc(CO)cc6)cc5)ccc4-c4ccc(-c5ccc(-c6ccc(OC)cc6)cc5)cc43)cc2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C81H56.C77H56O4.C73H44N4/c1-9-25-61(26-10-1)73(62-27-11-2-12-28-62)49-57-41-45-69-70-46-42-58(50-74(63-29-13-3-14-30-63)64-31-15-4-16-32-64)54-78(70)81(77(69)53-57)79-55-59(51-75(65-33-17-5-18-34-65)66-35-19-6-20-36-66)43-47-71(79)72-48-44-60(56-80(72)81)52-76(67-37-21-7-22-38-67)68-39-23-8-24-40-68;1-80-67-35-27-57(28-36-67)55-15-23-61(24-16-55)65-33-41-71-69-39-31-63(59-19-11-53(12-20-59)51-7-3-49(47-78)4-8-51)43-73(69)77(75(71)45-65)74-44-64(60-21-13-54(14-22-60)52-9-5-50(48-79)6-10-52)32-40-70(74)72-42-34-66(46-76(72)77)62-25-17-56(18-26-62)58-29-37-68(81-2)38-30-58;1-9-25-65-53(17-1)54-18-2-10-26-66(54)74(65)45-33-37-49-50-38-34-46(75-67-27-11-3-19-55(67)56-20-4-12-28-68(56)75)42-62(50)73(61(49)41-45)63-43-47(76-69-29-13-5-21-57(69)58-22-6-14-30-70(58)76)35-39-51(63)52-40-36-48(44-64(52)73)77-71-31-15-7-23-59(71)60-24-8-16-32-72(60)77/h1-56H;3-46,78-79H,47-48H2,1-2H3;1-44H
InChIKeyQSUCEPZLJLFTAH-UHFFFAOYSA-N
MW3051.81 g/mol
LogP57.17
Rot. Bonds28

About [4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole

[4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole (PubChem CID 160508928) has the molecular formula C231H156N4O4 and a molecular weight of 3051.81 g/mol. Its IUPAC name is [4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole.

Molecular Properties

Compound Name[4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
PubChem CID160508928
Molecular FormulaC231H156N4O4
Molecular Weight3051.81 g/mol
Exact Mass3049.21
IUPAC Name[4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc2c(c1)C1(c3cc(C=C(c4ccccc4)c4ccccc4)ccc3-2)c2cc(C=C(c3ccccc3)c3ccccc3)ccc2-c2ccc(C=C(c3ccccc3)c3ccccc3)cc21.COc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccc(CO)cc7)cc6)ccc5-4)c4cc(-c5ccc(-c6ccc(CO)cc6)cc5)ccc4-c4ccc(-c5ccc(-c6ccc(OC)cc6)cc5)cc43)cc2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C81H56.C77H56O4.C73H44N4/c1-9-25-61(26-10-1)73(62-27-11-2-12-28-62)49-57-41-45-69-70-46-42-58(50-74(63-29-13-3-14-30-63)64-31-15-4-16-32-64)54-78(70)81(77(69)53-57)79-55-59(51-75(65-33-17-5-18-34-65)66-35-19-6-20-36-66)43-47-71(79)72-48-44-60(56-80(72)81)52-76(67-37-21-7-22-38-67)68-39-23-8-24-40-68;1-80-67-35-27-57(28-36-67)55-15-23-61(24-16-55)65-33-41-71-69-39-31-63(59-19-11-53(12-20-59)51-7-3-49(47-78)4-8-51)43-73(69)77(75(71)45-65)74-44-64(60-21-13-54(14-22-60)52-9-5-50(48-79)6-10-52)32-40-70(74)72-42-34-66(46-76(72)77)62-25-17-56(18-26-62)58-29-37-68(81-2)38-30-58;1-9-25-65-53(17-1)54-18-2-10-26-66(54)74(65)45-33-37-49-50-38-34-46(75-67-27-11-3-19-55(67)56-20-4-12-28-68(56)75)42-62(50)73(61(49)41-45)63-43-47(76-69-29-13-5-21-57(69)58-22-6-14-30-70(58)76)35-39-51(63)52-40-36-48(44-64(52)73)77-71-31-15-7-23-59(71)60-24-8-16-32-72(60)77/h1-56H;3-46,78-79H,47-48H2,1-2H3;1-44H
InChIKeyQSUCEPZLJLFTAH-UHFFFAOYSA-N
XLogP57.17
TPSA78.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms239
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003051.81
LogP ≤ 557.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];2,2',7,7'-tetrakis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
CID 161131230
2,7'-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2'-amine;[4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
CID 159296901
2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];2,2',7,7'-tetrakis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
CID 160625053
3-[4-[(E)-2-[4-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenyl]-1-phenylethenyl]phenyl]-9-phenylcarbazole
CID 59236111
9-phenyl-3-[(E)-1-phenyl-2-[6,6,12,12-tetramethyl-2-[(E)-2-phenyl-2-(9-phenylcarbazol-3-yl)ethenyl]indeno[1,2-b]fluoren-8-yl]ethenyl]carbazole
CID 59236047
[4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol
CID 58991857
5-[2-[1,2-bis(4-methoxyphenyl)ethenyl]phenyl]-7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazole
CID 144911551
9-naphthalen-2-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole
CID 59236656
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
9-naphthalen-2-yl-3-[4-[(E)-2-[7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole
CID 59236285
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
9-[4-[2-[4-[4-[2,2-bis(4-carbazol-9-ylphenyl)ethenyl]phenyl]phenyl]-1-(4-carbazol-9-ylphenyl)ethenyl]phenyl]carbazole
CID 102262971

Frequently Asked Questions

What is the IUPAC name of [4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole?
The IUPAC name of [4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole (CID 160508928) is [4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole.
What is the SMILES notation for [4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole?
The canonical SMILES for [4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole is C(=C(c1ccccc1)c1ccccc1)c1ccc2c(c1)C1(c3cc(C=C(c4ccccc4)c4ccccc4)ccc3-2)c2cc(C=C(c3ccccc3)c3ccccc3)ccc2-c2ccc(C=C(c3ccccc3)c3ccccc3)cc21.COc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccc(CO)cc7)cc6)ccc5-4)c4cc(-c5ccc(-c6ccc(CO)cc6)cc5)ccc4-c4ccc(-c5ccc(-c6ccc(OC)cc6)cc5)cc43)cc2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of [4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole?
The InChIKey is QSUCEPZLJLFTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H56.C77H56O4.C73H44N4/c1-9-25-61(26-10-1)73(62-27-11-2-12-28-62)49-57-41-45-69-70-46-42-58(50-74(63-29-13-3-14-30-63)64-31-15-4-16-32-64)54-78(70)81(77(69)53-57)79-55-59(51-75(65-33-17-5-18-34-65)66-35-19-6-20-36-66)43-47-71(79)72-48-44-60(56-80(72)81)52-76(67-37-21-7-22-38-67)68-39-23-8-24-40-68;1-80-67-35-27-57(28-36-67)55-15-23-61(24-16-55)65-33-41-71-69-39-31-63(59-19-11-53(12-20-59)51-7-3-49(47-78)4-8-51)43-73(69)77(75(71)45-65)74-44-64(60-21-13-54(14-22-60)52-9-5-50(48-79)6-10-52)32-40-70(74)72-42-34-66(46-76(72)77)62-25-17-56(18-26-62)58-29-37-68(81-2)38-30-58;1-9-25-65-53(17-1)54-18-2-10-26-66(54)74(65)45-33-37-49-50-38-34-46(75-67-27-11-3-19-55(67)56-20-4-12-28-68(56)75)42-62(50)73(61(49)41-45)63-43-47(76-69-29-13-5-21-57(69)58-22-6-14-30-70(58)76)35-39-51(63)52-40-36-48(44-64(52)73)77-71-31-15-7-23-59(71)60-24-8-16-32-72(60)77/h1-56H;3-46,78-79H,47-48H2,1-2H3;1-44H.
What are the key properties of [4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole?
[4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole has a molecular weight of 3051.81 g/mol, XLogP of 57.17, 28 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole is sourced from PubChem (CID 160508928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).