2-tert-butyl-7-[3-[7-[4-[2-(3-dibenzothiophen-2-yl-5-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]triphenylen-2-yl]-5-methylphenyl]dibenzofuran

C95H62OS2 — CID 155257382

IUPAC2-tert-butyl-7-[3-[7-[4-[2-(3-dibenzothiophen-2-yl-5-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]triphenylen-2-yl]-5-methylphenyl]dibenzofuran
SMILESCc1cc(-c2ccc3c(c2)oc2ccc(C(C)(C)C)cc23)cc(-c2ccc3c4ccc(-c5ccc(-c6cc(-c7cc(-c8ccc9sc%10ccccc%10c9c8)cc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)c7)cc7c6sc6ccccc67)cc5)cc4c4ccccc4c3c2)c1
InChIInChI=1S/C95H62OS2/c1-55-41-63(43-64(42-55)62-32-38-79-86-54-69(95(2,3)4)34-39-89(86)96-90(79)53-62)59-30-37-78-77-35-29-58(47-83(77)74-19-9-10-20-75(74)85(78)48-59)56-25-27-57(28-26-56)82-51-68(52-88-81-22-12-14-24-92(81)98-94(82)88)67-45-65(44-66(46-67)61-33-40-93-87(50-61)80-21-11-13-23-91(80)97-93)60-31-36-76-72-17-6-5-15-70(72)71-16-7-8-18-73(71)84(76)49-60/h5-54H,1-4H3
InChIKeyOSHJWKVWDVRANH-UHFFFAOYSA-N
MW1283.67 g/mol
LogP28.52
Rot. Bonds7

About 2-tert-butyl-7-[3-[7-[4-[2-(3-dibenzothiophen-2-yl-5-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]triphenylen-2-yl]-5-methylphenyl]dibenzofuran

2-tert-butyl-7-[3-[7-[4-[2-(3-dibenzothiophen-2-yl-5-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]triphenylen-2-yl]-5-methylphenyl]dibenzofuran (PubChem CID 155257382) has the molecular formula C95H62OS2 and a molecular weight of 1283.67 g/mol. Its IUPAC name is 2-tert-butyl-7-[3-[7-[4-[2-(3-dibenzothiophen-2-yl-5-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]triphenylen-2-yl]-5-methylphenyl]dibenzofuran.

Molecular Properties

Compound Name2-tert-butyl-7-[3-[7-[4-[2-(3-dibenzothiophen-2-yl-5-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]triphenylen-2-yl]-5-methylphenyl]dibenzofuran
PubChem CID155257382
Molecular FormulaC95H62OS2
Molecular Weight1283.67 g/mol
Exact Mass1282.42
IUPAC Name2-tert-butyl-7-[3-[7-[4-[2-(3-dibenzothiophen-2-yl-5-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]triphenylen-2-yl]-5-methylphenyl]dibenzofuran
SMILESCc1cc(-c2ccc3c(c2)oc2ccc(C(C)(C)C)cc23)cc(-c2ccc3c4ccc(-c5ccc(-c6cc(-c7cc(-c8ccc9sc%10ccccc%10c9c8)cc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)c7)cc7c6sc6ccccc67)cc5)cc4c4ccccc4c3c2)c1
InChIInChI=1S/C95H62OS2/c1-55-41-63(43-64(42-55)62-32-38-79-86-54-69(95(2,3)4)34-39-89(86)96-90(79)53-62)59-30-37-78-77-35-29-58(47-83(77)74-19-9-10-20-75(74)85(78)48-59)56-25-27-57(28-26-56)82-51-68(52-88-81-22-12-14-24-92(81)98-94(82)88)67-45-65(44-66(46-67)61-33-40-93-87(50-61)80-21-11-13-23-91(80)97-93)60-31-36-76-72-17-6-5-15-70(72)71-16-7-8-18-73(71)84(76)49-60/h5-54H,1-4H3
InChIKeyOSHJWKVWDVRANH-UHFFFAOYSA-N
XLogP28.52
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001283.67
LogP ≤ 528.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-7-[3-[7-[4-[2-(3-dibenzothiophen-2-yl-5-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]triphenylen-2-yl]-5-methylphenyl]dibenzofuran with MolForge

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Related Compounds

18,19-bis(3-methylphenyl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene;18,20-bis(3-phenylphenyl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene;19-dibenzothiophen-4-yl-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene;20-dibenzothiophen-4-yl-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene;20-(7,10-ditert-butyltriphenylen-2-yl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 161275061
2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran
CID 144568487
2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 137466525
2-[4-[2,8-bis(4-tert-butylphenyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332081
2-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 166009417
6-(3-dibenzofuran-4-yl-5-triphenylen-2-ylphenyl)-3-[7-(4-dibenzothiophen-2-ylphenyl)triphenylen-2-yl]dibenzofuran
CID 155257383
2-[3-[9-(4-tert-butylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzothiophene;2-[3-(9,10-diphenylanthracen-2-yl)phenyl]dibenzothiophene;4-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-naphthalen-2-yl-6-phenyl-8-(3-phenylphenyl)dibenzothiophene;2-[3-[9-(4-methylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzothiophene
CID 164977709
4-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349921
2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran
CID 90265513
7-[3-(7-ethyltriphenylen-2-yl)-5-methylphenyl]-2-phenyldibenzofuran
CID 121287192
7-dibenzothiophen-2-yl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene
CID 153303323
2-dibenzothiophen-2-yl-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 171597424

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-[3-[7-[4-[2-(3-dibenzothiophen-2-yl-5-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]triphenylen-2-yl]-5-methylphenyl]dibenzofuran?
The IUPAC name of 2-tert-butyl-7-[3-[7-[4-[2-(3-dibenzothiophen-2-yl-5-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]triphenylen-2-yl]-5-methylphenyl]dibenzofuran (CID 155257382) is 2-tert-butyl-7-[3-[7-[4-[2-(3-dibenzothiophen-2-yl-5-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]triphenylen-2-yl]-5-methylphenyl]dibenzofuran.
What is the SMILES notation for 2-tert-butyl-7-[3-[7-[4-[2-(3-dibenzothiophen-2-yl-5-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]triphenylen-2-yl]-5-methylphenyl]dibenzofuran?
The canonical SMILES for 2-tert-butyl-7-[3-[7-[4-[2-(3-dibenzothiophen-2-yl-5-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]triphenylen-2-yl]-5-methylphenyl]dibenzofuran is Cc1cc(-c2ccc3c(c2)oc2ccc(C(C)(C)C)cc23)cc(-c2ccc3c4ccc(-c5ccc(-c6cc(-c7cc(-c8ccc9sc%10ccccc%10c9c8)cc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)c7)cc7c6sc6ccccc67)cc5)cc4c4ccccc4c3c2)c1.
What is the InChIKey of 2-tert-butyl-7-[3-[7-[4-[2-(3-dibenzothiophen-2-yl-5-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]triphenylen-2-yl]-5-methylphenyl]dibenzofuran?
The InChIKey is OSHJWKVWDVRANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H62OS2/c1-55-41-63(43-64(42-55)62-32-38-79-86-54-69(95(2,3)4)34-39-89(86)96-90(79)53-62)59-30-37-78-77-35-29-58(47-83(77)74-19-9-10-20-75(74)85(78)48-59)56-25-27-57(28-26-56)82-51-68(52-88-81-22-12-14-24-92(81)98-94(82)88)67-45-65(44-66(46-67)61-33-40-93-87(50-61)80-21-11-13-23-91(80)97-93)60-31-36-76-72-17-6-5-15-70(72)71-16-7-8-18-73(71)84(76)49-60/h5-54H,1-4H3.
What are the key properties of 2-tert-butyl-7-[3-[7-[4-[2-(3-dibenzothiophen-2-yl-5-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]triphenylen-2-yl]-5-methylphenyl]dibenzofuran?
2-tert-butyl-7-[3-[7-[4-[2-(3-dibenzothiophen-2-yl-5-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]triphenylen-2-yl]-5-methylphenyl]dibenzofuran has a molecular weight of 1283.67 g/mol, XLogP of 28.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-[3-[7-[4-[2-(3-dibenzothiophen-2-yl-5-triphenylen-2-ylphenyl)dibenzothiophen-4-yl]phenyl]triphenylen-2-yl]-5-methylphenyl]dibenzofuran is sourced from PubChem (CID 155257382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).