4-[3-[7-[6,8-bis[7-[(4-hydroxyphenyl)methyl]-9,9-dimethylfluoren-2-yl]-3-[7-[3-(4-hydroxyphenyl)propyl]-9,9-dimethylfluoren-2-yl]pyren-1-yl]-9,9-dimethylfluoren-2-yl]propyl]phenol

C108H90O4 — CID 90398140

IUPAC4-[3-[7-[6,8-bis[7-[(4-hydroxyphenyl)methyl]-9,9-dimethylfluoren-2-yl]-3-[7-[3-(4-hydroxyphenyl)propyl]-9,9-dimethylfluoren-2-yl]pyren-1-yl]-9,9-dimethylfluoren-2-yl]propyl]phenol
SMILESCC1(C)c2cc(CCCc3ccc(O)cc3)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4cc(CCCc6ccc(O)cc6)ccc4-5)c4ccc5c(-c6ccc7c(c6)C(C)(C)c6cc(Cc8ccc(O)cc8)ccc6-7)cc(-c6ccc7c(c6)C(C)(C)c6cc(Cc8ccc(O)cc8)ccc6-7)c6ccc3c4c65)cc21
InChIInChI=1S/C108H90O4/c1-105(2)95-53-65(13-9-11-63-15-31-75(109)32-16-63)23-39-79(95)83-43-27-71(57-99(83)105)91-61-92(72-28-44-84-80-40-24-66(54-96(80)106(3,4)100(84)58-72)14-10-12-64-17-33-76(110)34-18-64)88-48-50-90-94(74-30-46-86-82-42-26-70(52-68-21-37-78(112)38-22-68)56-98(82)108(7,8)102(86)60-74)62-93(89-49-47-87(91)103(88)104(89)90)73-29-45-85-81-41-25-69(51-67-19-35-77(111)36-20-67)55-97(81)107(5,6)101(85)59-73/h15-50,53-62,109-112H,9-14,51-52H2,1-8H3
InChIKeyDFZOILJYUMABRD-UHFFFAOYSA-N
MW1451.90 g/mol
LogP26.83
Rot. Bonds16

About 4-[3-[7-[6,8-bis[7-[(4-hydroxyphenyl)methyl]-9,9-dimethylfluoren-2-yl]-3-[7-[3-(4-hydroxyphenyl)propyl]-9,9-dimethylfluoren-2-yl]pyren-1-yl]-9,9-dimethylfluoren-2-yl]propyl]phenol

4-[3-[7-[6,8-bis[7-[(4-hydroxyphenyl)methyl]-9,9-dimethylfluoren-2-yl]-3-[7-[3-(4-hydroxyphenyl)propyl]-9,9-dimethylfluoren-2-yl]pyren-1-yl]-9,9-dimethylfluoren-2-yl]propyl]phenol (PubChem CID 90398140) has the molecular formula C108H90O4 and a molecular weight of 1451.90 g/mol. Its IUPAC name is 4-[3-[7-[6,8-bis[7-[(4-hydroxyphenyl)methyl]-9,9-dimethylfluoren-2-yl]-3-[7-[3-(4-hydroxyphenyl)propyl]-9,9-dimethylfluoren-2-yl]pyren-1-yl]-9,9-dimethylfluoren-2-yl]propyl]phenol.

Molecular Properties

Compound Name4-[3-[7-[6,8-bis[7-[(4-hydroxyphenyl)methyl]-9,9-dimethylfluoren-2-yl]-3-[7-[3-(4-hydroxyphenyl)propyl]-9,9-dimethylfluoren-2-yl]pyren-1-yl]-9,9-dimethylfluoren-2-yl]propyl]phenol
PubChem CID90398140
Molecular FormulaC108H90O4
Molecular Weight1451.90 g/mol
Exact Mass1450.68
IUPAC Name4-[3-[7-[6,8-bis[7-[(4-hydroxyphenyl)methyl]-9,9-dimethylfluoren-2-yl]-3-[7-[3-(4-hydroxyphenyl)propyl]-9,9-dimethylfluoren-2-yl]pyren-1-yl]-9,9-dimethylfluoren-2-yl]propyl]phenol
SMILESCC1(C)c2cc(CCCc3ccc(O)cc3)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4cc(CCCc6ccc(O)cc6)ccc4-5)c4ccc5c(-c6ccc7c(c6)C(C)(C)c6cc(Cc8ccc(O)cc8)ccc6-7)cc(-c6ccc7c(c6)C(C)(C)c6cc(Cc8ccc(O)cc8)ccc6-7)c6ccc3c4c65)cc21
InChIInChI=1S/C108H90O4/c1-105(2)95-53-65(13-9-11-63-15-31-75(109)32-16-63)23-39-79(95)83-43-27-71(57-99(83)105)91-61-92(72-28-44-84-80-40-24-66(54-96(80)106(3,4)100(84)58-72)14-10-12-64-17-33-76(110)34-18-64)88-48-50-90-94(74-30-46-86-82-42-26-70(52-68-21-37-78(112)38-22-68)56-98(82)108(7,8)102(86)60-74)62-93(89-49-47-87(91)103(88)104(89)90)73-29-45-85-81-41-25-69(51-67-19-35-77(111)36-20-67)55-97(81)107(5,6)101(85)59-73/h15-50,53-62,109-112H,9-14,51-52H2,1-8H3
InChIKeyDFZOILJYUMABRD-UHFFFAOYSA-N
XLogP26.83
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001451.90
LogP ≤ 526.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[3-[7-[6,8-bis[7-[(4-hydroxyphenyl)methyl]-9,9-dimethylfluoren-2-yl]-3-[7-[3-(4-hydroxyphenyl)propyl]-9,9-dimethylfluoren-2-yl]pyren-1-yl]-9,9-dimethylfluoren-2-yl]propyl]phenol with MolForge

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Related Compounds

3-[7-[7-tert-butyl-3-[7-(3-hydroxypropyl)-9,9-dimethylfluoren-2-yl]pyren-1-yl]-9,9-dimethylfluoren-2-yl]propan-1-ol
CID 90400395
3-[7-[7-tert-butyl-3-(9,9-dimethylfluoren-2-yl)pyren-1-yl]-9,9-dimethylfluoren-2-yl]propan-1-ol
CID 90398118
4-[7-(4-hydroxyphenyl)-9,9-dimethylfluoren-2-yl]phenol
CID 18714128
4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]-N-[4-[4-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]-N-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]anilino]phenyl]phenyl]-N-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]aniline
CID 58876409
2-[7-[7-(hydroxymethyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethanol
CID 90398124
2-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58876393
2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene
CID 157190437
ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol
CID 91387150
8,30-bis[7-(7-hexyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-5,5,33,33-tetramethyl-19,19-dioctylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 156624233
1,6-bis(9,9-dimethylfluoren-2-yl)-3-phenanthren-2-ylpyrene
CID 123865198
3-(9,9-dimethylfluoren-2-yl)-1,6-diphenylpyrene
CID 123577752
1-bromo-3,8-bis(9,9-dimethylfluoren-2-yl)-6-phenylpyrene
CID 88981001

Frequently Asked Questions

What is the IUPAC name of 4-[3-[7-[6,8-bis[7-[(4-hydroxyphenyl)methyl]-9,9-dimethylfluoren-2-yl]-3-[7-[3-(4-hydroxyphenyl)propyl]-9,9-dimethylfluoren-2-yl]pyren-1-yl]-9,9-dimethylfluoren-2-yl]propyl]phenol?
The IUPAC name of 4-[3-[7-[6,8-bis[7-[(4-hydroxyphenyl)methyl]-9,9-dimethylfluoren-2-yl]-3-[7-[3-(4-hydroxyphenyl)propyl]-9,9-dimethylfluoren-2-yl]pyren-1-yl]-9,9-dimethylfluoren-2-yl]propyl]phenol (CID 90398140) is 4-[3-[7-[6,8-bis[7-[(4-hydroxyphenyl)methyl]-9,9-dimethylfluoren-2-yl]-3-[7-[3-(4-hydroxyphenyl)propyl]-9,9-dimethylfluoren-2-yl]pyren-1-yl]-9,9-dimethylfluoren-2-yl]propyl]phenol.
What is the SMILES notation for 4-[3-[7-[6,8-bis[7-[(4-hydroxyphenyl)methyl]-9,9-dimethylfluoren-2-yl]-3-[7-[3-(4-hydroxyphenyl)propyl]-9,9-dimethylfluoren-2-yl]pyren-1-yl]-9,9-dimethylfluoren-2-yl]propyl]phenol?
The canonical SMILES for 4-[3-[7-[6,8-bis[7-[(4-hydroxyphenyl)methyl]-9,9-dimethylfluoren-2-yl]-3-[7-[3-(4-hydroxyphenyl)propyl]-9,9-dimethylfluoren-2-yl]pyren-1-yl]-9,9-dimethylfluoren-2-yl]propyl]phenol is CC1(C)c2cc(CCCc3ccc(O)cc3)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4cc(CCCc6ccc(O)cc6)ccc4-5)c4ccc5c(-c6ccc7c(c6)C(C)(C)c6cc(Cc8ccc(O)cc8)ccc6-7)cc(-c6ccc7c(c6)C(C)(C)c6cc(Cc8ccc(O)cc8)ccc6-7)c6ccc3c4c65)cc21.
What is the InChIKey of 4-[3-[7-[6,8-bis[7-[(4-hydroxyphenyl)methyl]-9,9-dimethylfluoren-2-yl]-3-[7-[3-(4-hydroxyphenyl)propyl]-9,9-dimethylfluoren-2-yl]pyren-1-yl]-9,9-dimethylfluoren-2-yl]propyl]phenol?
The InChIKey is DFZOILJYUMABRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H90O4/c1-105(2)95-53-65(13-9-11-63-15-31-75(109)32-16-63)23-39-79(95)83-43-27-71(57-99(83)105)91-61-92(72-28-44-84-80-40-24-66(54-96(80)106(3,4)100(84)58-72)14-10-12-64-17-33-76(110)34-18-64)88-48-50-90-94(74-30-46-86-82-42-26-70(52-68-21-37-78(112)38-22-68)56-98(82)108(7,8)102(86)60-74)62-93(89-49-47-87(91)103(88)104(89)90)73-29-45-85-81-41-25-69(51-67-19-35-77(111)36-20-67)55-97(81)107(5,6)101(85)59-73/h15-50,53-62,109-112H,9-14,51-52H2,1-8H3.
What are the key properties of 4-[3-[7-[6,8-bis[7-[(4-hydroxyphenyl)methyl]-9,9-dimethylfluoren-2-yl]-3-[7-[3-(4-hydroxyphenyl)propyl]-9,9-dimethylfluoren-2-yl]pyren-1-yl]-9,9-dimethylfluoren-2-yl]propyl]phenol?
4-[3-[7-[6,8-bis[7-[(4-hydroxyphenyl)methyl]-9,9-dimethylfluoren-2-yl]-3-[7-[3-(4-hydroxyphenyl)propyl]-9,9-dimethylfluoren-2-yl]pyren-1-yl]-9,9-dimethylfluoren-2-yl]propyl]phenol has a molecular weight of 1451.90 g/mol, XLogP of 26.83, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[7-[6,8-bis[7-[(4-hydroxyphenyl)methyl]-9,9-dimethylfluoren-2-yl]-3-[7-[3-(4-hydroxyphenyl)propyl]-9,9-dimethylfluoren-2-yl]pyren-1-yl]-9,9-dimethylfluoren-2-yl]propyl]phenol is sourced from PubChem (CID 90398140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).