1-[4-[3,5-bis(10-phenylanthracen-9-yl)phenyl]phenyl]-6-phenylpyrene;1-[3-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]-5-(10-phenylanthracen-9-yl)phenyl]pyrene;1-[3-[3-(10-phenylanthracen-9-yl)-5-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]pyrene;1-[3-(10-phenylanthracen-9-yl)-5-[3-phenyl-5-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrene

C291H182 — CID 159079152

IUPAC1-[4-[3,5-bis(10-phenylanthracen-9-yl)phenyl]phenyl]-6-phenylpyrene;1-[3-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]-5-(10-phenylanthracen-9-yl)phenyl]pyrene;1-[3-[3-(10-phenylanthracen-9-yl)-5-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]pyrene;1-[3-(10-phenylanthracen-9-yl)-5-[3-phenyl-5-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrene
SMILESCc1cc(-c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc(-c3ccc4ccc5cccc6ccc3c4c56)c2)cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc(-c5ccc6ccc7c(-c8ccccc8)ccc8ccc5c6c87)cc4)cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)c3ccccc23)cc1.c1ccc(-c2cc(-c3cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc(-c4ccc5ccc6cccc7ccc4c5c67)c3)cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4cc(-c5cccc(-c6ccc7ccc8cccc9ccc6c7c89)c5)cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4)c4ccccc34)c2)cc1
InChIInChI=1S/3C74H46.C69H44/c1-4-19-47(20-5-1)53-41-54(44-57(43-53)72-64-31-14-10-27-60(64)70(48-21-6-2-7-22-48)61-28-11-15-32-65(61)72)55-42-56(59-39-37-52-36-35-50-25-18-26-51-38-40-68(59)74(52)69(50)51)46-58(45-55)73-66-33-16-12-29-62(66)71(49-23-8-3-9-24-49)63-30-13-17-34-67(63)73;1-4-18-48(19-5-1)57-40-36-52-39-43-68-58(41-37-53-38-42-67(57)73(52)74(53)68)49-34-32-47(33-35-49)54-44-55(71-63-28-14-10-24-59(63)69(50-20-6-2-7-21-50)60-25-11-15-29-64(60)71)46-56(45-54)72-65-30-16-12-26-61(65)70(51-22-8-3-9-23-51)62-27-13-17-31-66(62)72;1-3-18-47(19-4-1)52-24-17-27-55(43-52)71-62-30-9-13-34-66(62)73(67-35-14-10-31-63(67)71)58-45-56(53-25-16-26-54(42-53)59-40-38-51-37-36-49-22-15-23-50-39-41-68(59)74(51)69(49)50)44-57(46-58)72-64-32-11-7-28-60(64)70(48-20-5-2-6-21-48)61-29-8-12-33-65(61)72;1-43-37-49(40-52(38-43)67-59-27-12-8-23-55(59)65(44-17-4-2-5-18-44)56-24-9-13-28-60(56)67)50-39-51(54-35-33-48-32-31-46-21-16-22-47-34-36-63(54)69(48)64(46)47)42-53(41-50)68-61-29-14-10-25-57(61)66(45-19-6-3-7-20-45)58-26-11-15-30-62(58)68/h3*1-46H;2-42H,1H3
InChIKeyKAQFMDCWTHMIFZ-UHFFFAOYSA-N
MW3678.66 g/mol
LogP82.10
Rot. Bonds27

About 1-[4-[3,5-bis(10-phenylanthracen-9-yl)phenyl]phenyl]-6-phenylpyrene;1-[3-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]-5-(10-phenylanthracen-9-yl)phenyl]pyrene;1-[3-[3-(10-phenylanthracen-9-yl)-5-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]pyrene;1-[3-(10-phenylanthracen-9-yl)-5-[3-phenyl-5-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrene

1-[4-[3,5-bis(10-phenylanthracen-9-yl)phenyl]phenyl]-6-phenylpyrene;1-[3-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]-5-(10-phenylanthracen-9-yl)phenyl]pyrene;1-[3-[3-(10-phenylanthracen-9-yl)-5-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]pyrene;1-[3-(10-phenylanthracen-9-yl)-5-[3-phenyl-5-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrene (PubChem CID 159079152) has the molecular formula C291H182 and a molecular weight of 3678.66 g/mol. Its IUPAC name is 1-[4-[3,5-bis(10-phenylanthracen-9-yl)phenyl]phenyl]-6-phenylpyrene;1-[3-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]-5-(10-phenylanthracen-9-yl)phenyl]pyrene;1-[3-[3-(10-phenylanthracen-9-yl)-5-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]pyrene;1-[3-(10-phenylanthracen-9-yl)-5-[3-phenyl-5-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrene.

Molecular Properties

Compound Name1-[4-[3,5-bis(10-phenylanthracen-9-yl)phenyl]phenyl]-6-phenylpyrene;1-[3-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]-5-(10-phenylanthracen-9-yl)phenyl]pyrene;1-[3-[3-(10-phenylanthracen-9-yl)-5-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]pyrene;1-[3-(10-phenylanthracen-9-yl)-5-[3-phenyl-5-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrene
PubChem CID159079152
Molecular FormulaC291H182
Molecular Weight3678.66 g/mol
Exact Mass3675.42
IUPAC Name1-[4-[3,5-bis(10-phenylanthracen-9-yl)phenyl]phenyl]-6-phenylpyrene;1-[3-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]-5-(10-phenylanthracen-9-yl)phenyl]pyrene;1-[3-[3-(10-phenylanthracen-9-yl)-5-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]pyrene;1-[3-(10-phenylanthracen-9-yl)-5-[3-phenyl-5-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrene
SMILESCc1cc(-c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc(-c3ccc4ccc5cccc6ccc3c4c56)c2)cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc(-c5ccc6ccc7c(-c8ccccc8)ccc8ccc5c6c87)cc4)cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)c3ccccc23)cc1.c1ccc(-c2cc(-c3cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc(-c4ccc5ccc6cccc7ccc4c5c67)c3)cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4cc(-c5cccc(-c6ccc7ccc8cccc9ccc6c7c89)c5)cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4)c4ccccc34)c2)cc1
InChIInChI=1S/3C74H46.C69H44/c1-4-19-47(20-5-1)53-41-54(44-57(43-53)72-64-31-14-10-27-60(64)70(48-21-6-2-7-22-48)61-28-11-15-32-65(61)72)55-42-56(59-39-37-52-36-35-50-25-18-26-51-38-40-68(59)74(52)69(50)51)46-58(45-55)73-66-33-16-12-29-62(66)71(49-23-8-3-9-24-49)63-30-13-17-34-67(63)73;1-4-18-48(19-5-1)57-40-36-52-39-43-68-58(41-37-53-38-42-67(57)73(52)74(53)68)49-34-32-47(33-35-49)54-44-55(71-63-28-14-10-24-59(63)69(50-20-6-2-7-21-50)60-25-11-15-29-64(60)71)46-56(45-54)72-65-30-16-12-26-61(65)70(51-22-8-3-9-23-51)62-27-13-17-31-66(62)72;1-3-18-47(19-4-1)52-24-17-27-55(43-52)71-62-30-9-13-34-66(62)73(67-35-14-10-31-63(67)71)58-45-56(53-25-16-26-54(42-53)59-40-38-51-37-36-49-22-15-23-50-39-41-68(59)74(51)69(49)50)44-57(46-58)72-64-32-11-7-28-60(64)70(48-20-5-2-6-21-48)61-29-8-12-33-65(61)72;1-43-37-49(40-52(38-43)67-59-27-12-8-23-55(59)65(44-17-4-2-5-18-44)56-24-9-13-28-60(56)67)50-39-51(54-35-33-48-32-31-46-21-16-22-47-34-36-63(54)69(48)64(46)47)42-53(41-50)68-61-29-14-10-25-57(61)66(45-19-6-3-7-20-45)58-26-11-15-30-62(58)68/h3*1-46H;2-42H,1H3
InChIKeyKAQFMDCWTHMIFZ-UHFFFAOYSA-N
XLogP82.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds27
Heavy Atoms291
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003678.66
LogP ≤ 582.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-[4-[3,5-bis(10-phenylanthracen-9-yl)phenyl]phenyl]-6-phenylpyrene;1-[3-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]-5-(10-phenylanthracen-9-yl)phenyl]pyrene;1-[3-[3-(10-phenylanthracen-9-yl)-5-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]pyrene;1-[3-(10-phenylanthracen-9-yl)-5-[3-phenyl-5-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrene with MolForge

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Related Compounds

9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 159677648
9-[3-(3,5-diphenylphenyl)phenyl]-10-naphthalen-1-ylanthracene;1-[3,5-di(pyren-1-yl)phenyl]pyrene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 165107322
1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 167610604
1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene
CID 59859301
2-phenyl-8-(10-phenylanthracen-9-yl)dibenzofuran;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 158099931
9-(3-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;1-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyrene
CID 165031655
4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene
CID 58672227
9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;4-(10-phenylanthracen-9-yl)pyrene
CID 158348352
1-[3-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene;1-[4-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene;1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-(3-pyren-1-ylphenyl)pyrene
CID 158441814
1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene
CID 164706329
1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene
CID 142727128
9-phenyl-10-[5-phenyl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837443

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3,5-bis(10-phenylanthracen-9-yl)phenyl]phenyl]-6-phenylpyrene;1-[3-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]-5-(10-phenylanthracen-9-yl)phenyl]pyrene;1-[3-[3-(10-phenylanthracen-9-yl)-5-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]pyrene;1-[3-(10-phenylanthracen-9-yl)-5-[3-phenyl-5-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrene?
The IUPAC name of 1-[4-[3,5-bis(10-phenylanthracen-9-yl)phenyl]phenyl]-6-phenylpyrene;1-[3-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]-5-(10-phenylanthracen-9-yl)phenyl]pyrene;1-[3-[3-(10-phenylanthracen-9-yl)-5-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]pyrene;1-[3-(10-phenylanthracen-9-yl)-5-[3-phenyl-5-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrene (CID 159079152) is 1-[4-[3,5-bis(10-phenylanthracen-9-yl)phenyl]phenyl]-6-phenylpyrene;1-[3-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]-5-(10-phenylanthracen-9-yl)phenyl]pyrene;1-[3-[3-(10-phenylanthracen-9-yl)-5-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]pyrene;1-[3-(10-phenylanthracen-9-yl)-5-[3-phenyl-5-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrene.
What is the SMILES notation for 1-[4-[3,5-bis(10-phenylanthracen-9-yl)phenyl]phenyl]-6-phenylpyrene;1-[3-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]-5-(10-phenylanthracen-9-yl)phenyl]pyrene;1-[3-[3-(10-phenylanthracen-9-yl)-5-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]pyrene;1-[3-(10-phenylanthracen-9-yl)-5-[3-phenyl-5-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrene?
The canonical SMILES for 1-[4-[3,5-bis(10-phenylanthracen-9-yl)phenyl]phenyl]-6-phenylpyrene;1-[3-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]-5-(10-phenylanthracen-9-yl)phenyl]pyrene;1-[3-[3-(10-phenylanthracen-9-yl)-5-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]pyrene;1-[3-(10-phenylanthracen-9-yl)-5-[3-phenyl-5-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrene is Cc1cc(-c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc(-c3ccc4ccc5cccc6ccc3c4c56)c2)cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc(-c5ccc6ccc7c(-c8ccccc8)ccc8ccc5c6c87)cc4)cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)c3ccccc23)cc1.c1ccc(-c2cc(-c3cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc(-c4ccc5ccc6cccc7ccc4c5c67)c3)cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4cc(-c5cccc(-c6ccc7ccc8cccc9ccc6c7c89)c5)cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4)c4ccccc34)c2)cc1.
What is the InChIKey of 1-[4-[3,5-bis(10-phenylanthracen-9-yl)phenyl]phenyl]-6-phenylpyrene;1-[3-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]-5-(10-phenylanthracen-9-yl)phenyl]pyrene;1-[3-[3-(10-phenylanthracen-9-yl)-5-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]pyrene;1-[3-(10-phenylanthracen-9-yl)-5-[3-phenyl-5-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrene?
The InChIKey is KAQFMDCWTHMIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C74H46.C69H44/c1-4-19-47(20-5-1)53-41-54(44-57(43-53)72-64-31-14-10-27-60(64)70(48-21-6-2-7-22-48)61-28-11-15-32-65(61)72)55-42-56(59-39-37-52-36-35-50-25-18-26-51-38-40-68(59)74(52)69(50)51)46-58(45-55)73-66-33-16-12-29-62(66)71(49-23-8-3-9-24-49)63-30-13-17-34-67(63)73;1-4-18-48(19-5-1)57-40-36-52-39-43-68-58(41-37-53-38-42-67(57)73(52)74(53)68)49-34-32-47(33-35-49)54-44-55(71-63-28-14-10-24-59(63)69(50-20-6-2-7-21-50)60-25-11-15-29-64(60)71)46-56(45-54)72-65-30-16-12-26-61(65)70(51-22-8-3-9-23-51)62-27-13-17-31-66(62)72;1-3-18-47(19-4-1)52-24-17-27-55(43-52)71-62-30-9-13-34-66(62)73(67-35-14-10-31-63(67)71)58-45-56(53-25-16-26-54(42-53)59-40-38-51-37-36-49-22-15-23-50-39-41-68(59)74(51)69(49)50)44-57(46-58)72-64-32-11-7-28-60(64)70(48-20-5-2-6-21-48)61-29-8-12-33-65(61)72;1-43-37-49(40-52(38-43)67-59-27-12-8-23-55(59)65(44-17-4-2-5-18-44)56-24-9-13-28-60(56)67)50-39-51(54-35-33-48-32-31-46-21-16-22-47-34-36-63(54)69(48)64(46)47)42-53(41-50)68-61-29-14-10-25-57(61)66(45-19-6-3-7-20-45)58-26-11-15-30-62(58)68/h3*1-46H;2-42H,1H3.
What are the key properties of 1-[4-[3,5-bis(10-phenylanthracen-9-yl)phenyl]phenyl]-6-phenylpyrene;1-[3-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]-5-(10-phenylanthracen-9-yl)phenyl]pyrene;1-[3-[3-(10-phenylanthracen-9-yl)-5-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]pyrene;1-[3-(10-phenylanthracen-9-yl)-5-[3-phenyl-5-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrene?
1-[4-[3,5-bis(10-phenylanthracen-9-yl)phenyl]phenyl]-6-phenylpyrene;1-[3-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]-5-(10-phenylanthracen-9-yl)phenyl]pyrene;1-[3-[3-(10-phenylanthracen-9-yl)-5-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]pyrene;1-[3-(10-phenylanthracen-9-yl)-5-[3-phenyl-5-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrene has a molecular weight of 3678.66 g/mol, XLogP of 82.10, 27 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3,5-bis(10-phenylanthracen-9-yl)phenyl]phenyl]-6-phenylpyrene;1-[3-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]-5-(10-phenylanthracen-9-yl)phenyl]pyrene;1-[3-[3-(10-phenylanthracen-9-yl)-5-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]pyrene;1-[3-(10-phenylanthracen-9-yl)-5-[3-phenyl-5-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrene is sourced from PubChem (CID 159079152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).