2-tert-butyl-5-[7-[1-[3-[3-[8-[7-(3,5-diphenylphenyl)-9-oxoxanthen-1-yl]-9-oxoxanthen-2-yl]-5-phenylphenyl]phenyl]-2-methylpropan-2-yl]-9-oxoxanthen-4-yl]xanthen-9-one

C96H66O8 — CID 123850390

IUPAC2-tert-butyl-5-[7-[1-[3-[3-[8-[7-(3,5-diphenylphenyl)-9-oxoxanthen-1-yl]-9-oxoxanthen-2-yl]-5-phenylphenyl]phenyl]-2-methylpropan-2-yl]-9-oxoxanthen-4-yl]xanthen-9-one
SMILESCC(C)(C)c1ccc2oc3c(-c4cccc5c(=O)c6cc(C(C)(C)Cc7cccc(-c8cc(-c9ccccc9)cc(-c9ccc%10oc%11cccc(-c%12cccc%13oc%14ccc(-c%15cc(-c%16ccccc%16)cc(-c%16ccccc%16)c%15)cc%14c(=O)c%12%13)c%11c(=O)c%10c9)c8)c7)ccc6oc45)cccc3c(=O)c2c1
InChIInChI=1S/C96H66O8/c1-95(2,3)69-38-42-83-79(53-69)89(97)75-32-16-30-73(93(75)103-83)74-31-17-33-76-90(98)80-54-70(39-43-84(80)104-94(74)76)96(4,5)55-56-20-15-27-60(44-56)66-46-65(59-25-13-8-14-26-59)49-68(50-66)62-37-41-82-78(52-62)92(100)88-72(29-19-35-86(88)102-82)71-28-18-34-85-87(71)91(99)77-51-61(36-40-81(77)101-85)67-47-63(57-21-9-6-10-22-57)45-64(48-67)58-23-11-7-12-24-58/h6-54H,55H2,1-5H3
InChIKeyPDPGVWLEQIAPNC-UHFFFAOYSA-N
MW1347.58 g/mol
LogP23.88
Rot. Bonds11

About 2-tert-butyl-5-[7-[1-[3-[3-[8-[7-(3,5-diphenylphenyl)-9-oxoxanthen-1-yl]-9-oxoxanthen-2-yl]-5-phenylphenyl]phenyl]-2-methylpropan-2-yl]-9-oxoxanthen-4-yl]xanthen-9-one

2-tert-butyl-5-[7-[1-[3-[3-[8-[7-(3,5-diphenylphenyl)-9-oxoxanthen-1-yl]-9-oxoxanthen-2-yl]-5-phenylphenyl]phenyl]-2-methylpropan-2-yl]-9-oxoxanthen-4-yl]xanthen-9-one (PubChem CID 123850390) has the molecular formula C96H66O8 and a molecular weight of 1347.58 g/mol. Its IUPAC name is 2-tert-butyl-5-[7-[1-[3-[3-[8-[7-(3,5-diphenylphenyl)-9-oxoxanthen-1-yl]-9-oxoxanthen-2-yl]-5-phenylphenyl]phenyl]-2-methylpropan-2-yl]-9-oxoxanthen-4-yl]xanthen-9-one.

Molecular Properties

Compound Name2-tert-butyl-5-[7-[1-[3-[3-[8-[7-(3,5-diphenylphenyl)-9-oxoxanthen-1-yl]-9-oxoxanthen-2-yl]-5-phenylphenyl]phenyl]-2-methylpropan-2-yl]-9-oxoxanthen-4-yl]xanthen-9-one
PubChem CID123850390
Molecular FormulaC96H66O8
Molecular Weight1347.58 g/mol
Exact Mass1346.48
IUPAC Name2-tert-butyl-5-[7-[1-[3-[3-[8-[7-(3,5-diphenylphenyl)-9-oxoxanthen-1-yl]-9-oxoxanthen-2-yl]-5-phenylphenyl]phenyl]-2-methylpropan-2-yl]-9-oxoxanthen-4-yl]xanthen-9-one
SMILESCC(C)(C)c1ccc2oc3c(-c4cccc5c(=O)c6cc(C(C)(C)Cc7cccc(-c8cc(-c9ccccc9)cc(-c9ccc%10oc%11cccc(-c%12cccc%13oc%14ccc(-c%15cc(-c%16ccccc%16)cc(-c%16ccccc%16)c%15)cc%14c(=O)c%12%13)c%11c(=O)c%10c9)c8)c7)ccc6oc45)cccc3c(=O)c2c1
InChIInChI=1S/C96H66O8/c1-95(2,3)69-38-42-83-79(53-69)89(97)75-32-16-30-73(93(75)103-83)74-31-17-33-76-90(98)80-54-70(39-43-84(80)104-94(74)76)96(4,5)55-56-20-15-27-60(44-56)66-46-65(59-25-13-8-14-26-59)49-68(50-66)62-37-41-82-78(52-62)92(100)88-72(29-19-35-86(88)102-82)71-28-18-34-85-87(71)91(99)77-51-61(36-40-81(77)101-85)67-47-63(57-21-9-6-10-22-57)45-64(48-67)58-23-11-7-12-24-58/h6-54H,55H2,1-5H3
InChIKeyPDPGVWLEQIAPNC-UHFFFAOYSA-N
XLogP23.88
TPSA120.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001347.58
LogP ≤ 523.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-5-[7-[1-[3-[3-[8-[7-(3,5-diphenylphenyl)-9-oxoxanthen-1-yl]-9-oxoxanthen-2-yl]-5-phenylphenyl]phenyl]-2-methylpropan-2-yl]-9-oxoxanthen-4-yl]xanthen-9-one with MolForge

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Related Compounds

5-(3,7-ditert-butylnaphthalen-1-yl)-3-(9-oxoxanthen-2-yl)xanthen-9-one
CID 69098410
2,10-bis(3,5-diphenylphenyl)chromeno[2,3-a]xanthene-8,14-dione
CID 170440758
2,10-bis(4-phenylphenyl)chromeno[2,3-a]xanthene-8,14-dione
CID 170440757
3-tert-butyl-7-[2-methyl-2-(3-phenylphenyl)propyl]dibenzofuran
CID 167166746
1-tert-butyl-6-phenyldibenzofuran;1-tert-butyl-7-phenyldibenzofuran;2-tert-butyl-6-phenyldibenzofuran;2-tert-butyl-7-phenyldibenzofuran;3-tert-butyl-7-phenyldibenzofuran;6-tert-butyl-2-phenyldibenzofuran;6-tert-butyl-3-phenyldibenzofuran
CID 165019061
7-[3-(3,5-diphenylphenyl)phenyl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 162495178
3,11-bis(3,5-diphenylphenyl)chromeno[2,3-a]xanthene-8,14-dione
CID 170440831
N-(8-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine
CID 176759764
4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran
CID 144568505
28-(4-tert-butylphenyl)-18-[4-[2-methyl-1-[3-(18-phenyl-9-oxa-23-azanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaen-28-yl)phenyl]propan-2-yl]phenyl]-9-oxa-23-azanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene
CID 166881223
2-tert-butyl-6-[3-(9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran;6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-naphthalen-2-yldibenzofuran;6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenyldibenzofuran;6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(3-phenylphenyl)dibenzofuran
CID 160998426
2,7-ditert-butylxanthen-9-one
CID 10859809

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[7-[1-[3-[3-[8-[7-(3,5-diphenylphenyl)-9-oxoxanthen-1-yl]-9-oxoxanthen-2-yl]-5-phenylphenyl]phenyl]-2-methylpropan-2-yl]-9-oxoxanthen-4-yl]xanthen-9-one?
The IUPAC name of 2-tert-butyl-5-[7-[1-[3-[3-[8-[7-(3,5-diphenylphenyl)-9-oxoxanthen-1-yl]-9-oxoxanthen-2-yl]-5-phenylphenyl]phenyl]-2-methylpropan-2-yl]-9-oxoxanthen-4-yl]xanthen-9-one (CID 123850390) is 2-tert-butyl-5-[7-[1-[3-[3-[8-[7-(3,5-diphenylphenyl)-9-oxoxanthen-1-yl]-9-oxoxanthen-2-yl]-5-phenylphenyl]phenyl]-2-methylpropan-2-yl]-9-oxoxanthen-4-yl]xanthen-9-one.
What is the SMILES notation for 2-tert-butyl-5-[7-[1-[3-[3-[8-[7-(3,5-diphenylphenyl)-9-oxoxanthen-1-yl]-9-oxoxanthen-2-yl]-5-phenylphenyl]phenyl]-2-methylpropan-2-yl]-9-oxoxanthen-4-yl]xanthen-9-one?
The canonical SMILES for 2-tert-butyl-5-[7-[1-[3-[3-[8-[7-(3,5-diphenylphenyl)-9-oxoxanthen-1-yl]-9-oxoxanthen-2-yl]-5-phenylphenyl]phenyl]-2-methylpropan-2-yl]-9-oxoxanthen-4-yl]xanthen-9-one is CC(C)(C)c1ccc2oc3c(-c4cccc5c(=O)c6cc(C(C)(C)Cc7cccc(-c8cc(-c9ccccc9)cc(-c9ccc%10oc%11cccc(-c%12cccc%13oc%14ccc(-c%15cc(-c%16ccccc%16)cc(-c%16ccccc%16)c%15)cc%14c(=O)c%12%13)c%11c(=O)c%10c9)c8)c7)ccc6oc45)cccc3c(=O)c2c1.
What is the InChIKey of 2-tert-butyl-5-[7-[1-[3-[3-[8-[7-(3,5-diphenylphenyl)-9-oxoxanthen-1-yl]-9-oxoxanthen-2-yl]-5-phenylphenyl]phenyl]-2-methylpropan-2-yl]-9-oxoxanthen-4-yl]xanthen-9-one?
The InChIKey is PDPGVWLEQIAPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H66O8/c1-95(2,3)69-38-42-83-79(53-69)89(97)75-32-16-30-73(93(75)103-83)74-31-17-33-76-90(98)80-54-70(39-43-84(80)104-94(74)76)96(4,5)55-56-20-15-27-60(44-56)66-46-65(59-25-13-8-14-26-59)49-68(50-66)62-37-41-82-78(52-62)92(100)88-72(29-19-35-86(88)102-82)71-28-18-34-85-87(71)91(99)77-51-61(36-40-81(77)101-85)67-47-63(57-21-9-6-10-22-57)45-64(48-67)58-23-11-7-12-24-58/h6-54H,55H2,1-5H3.
What are the key properties of 2-tert-butyl-5-[7-[1-[3-[3-[8-[7-(3,5-diphenylphenyl)-9-oxoxanthen-1-yl]-9-oxoxanthen-2-yl]-5-phenylphenyl]phenyl]-2-methylpropan-2-yl]-9-oxoxanthen-4-yl]xanthen-9-one?
2-tert-butyl-5-[7-[1-[3-[3-[8-[7-(3,5-diphenylphenyl)-9-oxoxanthen-1-yl]-9-oxoxanthen-2-yl]-5-phenylphenyl]phenyl]-2-methylpropan-2-yl]-9-oxoxanthen-4-yl]xanthen-9-one has a molecular weight of 1347.58 g/mol, XLogP of 23.88, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[7-[1-[3-[3-[8-[7-(3,5-diphenylphenyl)-9-oxoxanthen-1-yl]-9-oxoxanthen-2-yl]-5-phenylphenyl]phenyl]-2-methylpropan-2-yl]-9-oxoxanthen-4-yl]xanthen-9-one is sourced from PubChem (CID 123850390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).