5-[4-[3-[4-tert-butyl-3-[10-(2-tert-butylphenyl)-2,3-dihydroanthracen-9-yl]phenyl]phenyl]-2-phenylphenyl]-12-(2,4-diphenylphenyl)-4a,12a-dihydrotetracene

C88H72 — CID 143529586

IUPAC5-[4-[3-[4-tert-butyl-3-[10-(2-tert-butylphenyl)-2,3-dihydroanthracen-9-yl]phenyl]phenyl]-2-phenylphenyl]-12-(2,4-diphenylphenyl)-4a,12a-dihydrotetracene
SMILESCC(C)(C)c1ccccc1-c1c2c(c(-c3cc(-c4cccc(-c5ccc(C6=c7cc8ccccc8cc7=C(c7ccc(-c8ccccc8)cc7-c7ccccc7)C7C=CC=CC67)c(-c6ccccc6)c5)c4)ccc3C(C)(C)C)c3ccccc13)=CCCC=2
InChIInChI=1S/C88H72/c1-87(2,3)81-44-25-24-43-75(81)83-67-37-18-22-41-71(67)86(72-42-23-19-38-68(72)83)80-56-66(47-50-82(80)88(4,5)6)61-36-26-35-60(51-61)65-46-49-74(77(53-65)59-31-14-9-15-32-59)85-70-40-21-20-39-69(70)84(78-54-62-33-16-17-34-63(62)55-79(78)85)73-48-45-64(57-27-10-7-11-28-57)52-76(73)58-29-12-8-13-30-58/h7-18,20-22,24-56,69-70H,19,23H2,1-6H3
InChIKeyWXUZOAPQUKEMIB-UHFFFAOYSA-N
MW1129.54 g/mol
LogP20.38
Rot. Bonds9

About 5-[4-[3-[4-tert-butyl-3-[10-(2-tert-butylphenyl)-2,3-dihydroanthracen-9-yl]phenyl]phenyl]-2-phenylphenyl]-12-(2,4-diphenylphenyl)-4a,12a-dihydrotetracene

5-[4-[3-[4-tert-butyl-3-[10-(2-tert-butylphenyl)-2,3-dihydroanthracen-9-yl]phenyl]phenyl]-2-phenylphenyl]-12-(2,4-diphenylphenyl)-4a,12a-dihydrotetracene (PubChem CID 143529586) has the molecular formula C88H72 and a molecular weight of 1129.54 g/mol. Its IUPAC name is 5-[4-[3-[4-tert-butyl-3-[10-(2-tert-butylphenyl)-2,3-dihydroanthracen-9-yl]phenyl]phenyl]-2-phenylphenyl]-12-(2,4-diphenylphenyl)-4a,12a-dihydrotetracene.

Molecular Properties

Compound Name5-[4-[3-[4-tert-butyl-3-[10-(2-tert-butylphenyl)-2,3-dihydroanthracen-9-yl]phenyl]phenyl]-2-phenylphenyl]-12-(2,4-diphenylphenyl)-4a,12a-dihydrotetracene
PubChem CID143529586
Molecular FormulaC88H72
Molecular Weight1129.54 g/mol
Exact Mass1128.56
IUPAC Name5-[4-[3-[4-tert-butyl-3-[10-(2-tert-butylphenyl)-2,3-dihydroanthracen-9-yl]phenyl]phenyl]-2-phenylphenyl]-12-(2,4-diphenylphenyl)-4a,12a-dihydrotetracene
SMILESCC(C)(C)c1ccccc1-c1c2c(c(-c3cc(-c4cccc(-c5ccc(C6=c7cc8ccccc8cc7=C(c7ccc(-c8ccccc8)cc7-c7ccccc7)C7C=CC=CC67)c(-c6ccccc6)c5)c4)ccc3C(C)(C)C)c3ccccc13)=CCCC=2
InChIInChI=1S/C88H72/c1-87(2,3)81-44-25-24-43-75(81)83-67-37-18-22-41-71(67)86(72-42-23-19-38-68(72)83)80-56-66(47-50-82(80)88(4,5)6)61-36-26-35-60(51-61)65-46-49-74(77(53-65)59-31-14-9-15-32-59)85-70-40-21-20-39-69(70)84(78-54-62-33-16-17-34-63(62)55-79(78)85)73-48-45-64(57-27-10-7-11-28-57)52-76(73)58-29-12-8-13-30-58/h7-18,20-22,24-56,69-70H,19,23H2,1-6H3
InChIKeyWXUZOAPQUKEMIB-UHFFFAOYSA-N
XLogP20.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001129.54
LogP ≤ 520.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-[4-[3-[4-tert-butyl-3-[10-(2-tert-butylphenyl)-2,3-dihydroanthracen-9-yl]phenyl]phenyl]-2-phenylphenyl]-12-(2,4-diphenylphenyl)-4a,12a-dihydrotetracene with MolForge

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Related Compounds

3,21-bis(2-tert-butylphenyl)-14,28-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-ditert-butylphenyl)-3,14-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;21,28-bis(3,5-dimethylphenyl)-3,14-bis(3-methylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene;3,14-diphenyl-21,28-bis(3-phenylphenyl)nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaene
CID 161015590
1-tert-butyl-2,4-diphenylbenzene;methane
CID 142588815
9-(3,4-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706349
9-[3,4-bis(2-phenylphenyl)phenyl]-10-naphthalen-2-ylanthracene;9-[3,4-bis(3-phenylphenyl)phenyl]-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-[4-(2-phenylphenyl)-3-(3-phenylphenyl)phenyl]anthracene
CID 157150348
2-tert-butyl-9-(3,5-diphenylphenyl)-10-naphthalen-2-ylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-(2-phenylphenyl)anthracene;2-tert-butyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene;9-(3,4-diphenylphenyl)-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;10-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)-2-phenylanthracene;9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;9-naphthalen-2-yl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 157283651
1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 141150554
1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene
CID 141427914
9-naphthalen-2-yl-10-[5-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)naphthalen-1-yl]anthracene
CID 143539913
9,9-dimethyl-6-[6-(10-naphthalen-1-yl-2,3-dihydroanthracen-9-yl)naphthalen-2-yl]-23-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20-decaene
CID 163527995
9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 58590190
9,9-dimethyl-6-[6-(10-phenyl-2,3-dihydroanthracen-9-yl)naphthalen-2-yl]-23-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20-decaene
CID 163484996
2-tert-butyl-9-(3,5-diphenylphenyl)-10-naphthalen-2-ylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene;2-tert-butyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-tert-butyl-10-naphthalen-2-yl-9-(2-phenylphenyl)anthracene;2-tert-butyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene;2-tert-butyl-9-naphthalen-2-yl-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(3,4-diphenylphenyl)-10-naphthalen-2-yl-2-phenylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;10-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)-2-phenylanthracene;9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 161266075

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-[4-tert-butyl-3-[10-(2-tert-butylphenyl)-2,3-dihydroanthracen-9-yl]phenyl]phenyl]-2-phenylphenyl]-12-(2,4-diphenylphenyl)-4a,12a-dihydrotetracene?
The IUPAC name of 5-[4-[3-[4-tert-butyl-3-[10-(2-tert-butylphenyl)-2,3-dihydroanthracen-9-yl]phenyl]phenyl]-2-phenylphenyl]-12-(2,4-diphenylphenyl)-4a,12a-dihydrotetracene (CID 143529586) is 5-[4-[3-[4-tert-butyl-3-[10-(2-tert-butylphenyl)-2,3-dihydroanthracen-9-yl]phenyl]phenyl]-2-phenylphenyl]-12-(2,4-diphenylphenyl)-4a,12a-dihydrotetracene.
What is the SMILES notation for 5-[4-[3-[4-tert-butyl-3-[10-(2-tert-butylphenyl)-2,3-dihydroanthracen-9-yl]phenyl]phenyl]-2-phenylphenyl]-12-(2,4-diphenylphenyl)-4a,12a-dihydrotetracene?
The canonical SMILES for 5-[4-[3-[4-tert-butyl-3-[10-(2-tert-butylphenyl)-2,3-dihydroanthracen-9-yl]phenyl]phenyl]-2-phenylphenyl]-12-(2,4-diphenylphenyl)-4a,12a-dihydrotetracene is CC(C)(C)c1ccccc1-c1c2c(c(-c3cc(-c4cccc(-c5ccc(C6=c7cc8ccccc8cc7=C(c7ccc(-c8ccccc8)cc7-c7ccccc7)C7C=CC=CC67)c(-c6ccccc6)c5)c4)ccc3C(C)(C)C)c3ccccc13)=CCCC=2.
What is the InChIKey of 5-[4-[3-[4-tert-butyl-3-[10-(2-tert-butylphenyl)-2,3-dihydroanthracen-9-yl]phenyl]phenyl]-2-phenylphenyl]-12-(2,4-diphenylphenyl)-4a,12a-dihydrotetracene?
The InChIKey is WXUZOAPQUKEMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H72/c1-87(2,3)81-44-25-24-43-75(81)83-67-37-18-22-41-71(67)86(72-42-23-19-38-68(72)83)80-56-66(47-50-82(80)88(4,5)6)61-36-26-35-60(51-61)65-46-49-74(77(53-65)59-31-14-9-15-32-59)85-70-40-21-20-39-69(70)84(78-54-62-33-16-17-34-63(62)55-79(78)85)73-48-45-64(57-27-10-7-11-28-57)52-76(73)58-29-12-8-13-30-58/h7-18,20-22,24-56,69-70H,19,23H2,1-6H3.
What are the key properties of 5-[4-[3-[4-tert-butyl-3-[10-(2-tert-butylphenyl)-2,3-dihydroanthracen-9-yl]phenyl]phenyl]-2-phenylphenyl]-12-(2,4-diphenylphenyl)-4a,12a-dihydrotetracene?
5-[4-[3-[4-tert-butyl-3-[10-(2-tert-butylphenyl)-2,3-dihydroanthracen-9-yl]phenyl]phenyl]-2-phenylphenyl]-12-(2,4-diphenylphenyl)-4a,12a-dihydrotetracene has a molecular weight of 1129.54 g/mol, XLogP of 20.38, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-[4-tert-butyl-3-[10-(2-tert-butylphenyl)-2,3-dihydroanthracen-9-yl]phenyl]phenyl]-2-phenylphenyl]-12-(2,4-diphenylphenyl)-4a,12a-dihydrotetracene is sourced from PubChem (CID 143529586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).