2-[4-[3-(3,5-diphenylphenyl)-5-(4-methyl-2,5-dioctylphenyl)phenyl]-2,5-dioctylphenyl]-6-methylanthracene;2-[3-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-5-(4-methyl-2,5-dioctylphenyl)phenyl]-1,10-phenanthroline;2-[4-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-6-(4-methyl-2,5-dioctylphenyl)pyrimidin-2-yl]-1,10-phenanthroline

C238H292N6 — CID 160970680

IUPAC2-[4-[3-(3,5-diphenylphenyl)-5-(4-methyl-2,5-dioctylphenyl)phenyl]-2,5-dioctylphenyl]-6-methylanthracene;2-[3-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-5-(4-methyl-2,5-dioctylphenyl)phenyl]-1,10-phenanthroline;2-[4-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-6-(4-methyl-2,5-dioctylphenyl)pyrimidin-2-yl]-1,10-phenanthroline
SMILESCCCCCCCCc1cc(-c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc(-c3cc(CCCCCCCC)c(-c4ccc5cc6cc(C)ccc6cc5c4)cc3CCCCCCCC)c2)c(CCCCCCCC)cc1C.CCCCCCCCc1cc(-c2cc(-c3cc(CCCCCCCC)c(-c4ccc5cc6cc(C)ccc6cc5c4)cc3CCCCCCCC)nc(-c3ccc4ccc5cccnc5c4n3)n2)c(CCCCCCCC)cc1C.CCCCCCCCc1cc(-c2cc(-c3ccc4ccc5cccnc5c4n3)cc(-c3cc(CCCCCCCC)c(-c4ccc5cc6cc(C)ccc6cc5c4)cc3CCCCCCCC)c2)c(CCCCCCCC)cc1C
InChIInChI=1S/C84H102.C78H96N2.C76H94N4/c1-7-11-15-19-23-29-41-67-60-83(70(50-64(67)6)42-30-24-20-16-12-8-2)80-57-79(78-55-75(65-37-33-27-34-38-65)54-76(56-78)66-39-35-28-36-40-66)58-81(59-80)84-62-71(43-31-25-21-17-13-9-3)82(61-72(84)44-32-26-22-18-14-10-4)73-48-47-69-51-74-49-63(5)45-46-68(74)52-77(69)53-73;1-7-11-15-19-23-27-32-61-54-74(64(47-58(61)6)33-28-24-20-16-12-8-2)70-51-71(53-72(52-70)76-44-43-60-40-39-59-36-31-45-79-77(59)78(60)80-76)75-56-65(34-29-25-21-17-13-9-3)73(55-66(75)35-30-26-22-18-14-10-4)67-42-41-63-48-68-46-57(5)37-38-62(68)49-69(63)50-67;1-7-11-15-19-23-27-32-59-51-69(62(47-56(59)6)33-28-24-20-16-12-8-2)72-54-73(80-76(79-72)71-44-43-58-40-39-57-36-31-45-77-74(57)75(58)78-71)70-53-63(34-29-25-21-17-13-9-3)68(52-64(70)35-30-26-22-18-14-10-4)65-42-41-61-48-66-46-55(5)37-38-60(66)49-67(61)50-65/h27-28,33-40,45-62H,7-26,29-32,41-44H2,1-6H3;31,36-56H,7-30,32-35H2,1-6H3;31,36-54H,7-30,32-35H2,1-6H3
InChIKeySYFDRLRTCUXJKZ-UHFFFAOYSA-N
MW3237.00 g/mol
LogP72.99
Rot. Bonds98

About 2-[4-[3-(3,5-diphenylphenyl)-5-(4-methyl-2,5-dioctylphenyl)phenyl]-2,5-dioctylphenyl]-6-methylanthracene;2-[3-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-5-(4-methyl-2,5-dioctylphenyl)phenyl]-1,10-phenanthroline;2-[4-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-6-(4-methyl-2,5-dioctylphenyl)pyrimidin-2-yl]-1,10-phenanthroline

2-[4-[3-(3,5-diphenylphenyl)-5-(4-methyl-2,5-dioctylphenyl)phenyl]-2,5-dioctylphenyl]-6-methylanthracene;2-[3-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-5-(4-methyl-2,5-dioctylphenyl)phenyl]-1,10-phenanthroline;2-[4-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-6-(4-methyl-2,5-dioctylphenyl)pyrimidin-2-yl]-1,10-phenanthroline (PubChem CID 160970680) has the molecular formula C238H292N6 and a molecular weight of 3237.00 g/mol. Its IUPAC name is 2-[4-[3-(3,5-diphenylphenyl)-5-(4-methyl-2,5-dioctylphenyl)phenyl]-2,5-dioctylphenyl]-6-methylanthracene;2-[3-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-5-(4-methyl-2,5-dioctylphenyl)phenyl]-1,10-phenanthroline;2-[4-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-6-(4-methyl-2,5-dioctylphenyl)pyrimidin-2-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[4-[3-(3,5-diphenylphenyl)-5-(4-methyl-2,5-dioctylphenyl)phenyl]-2,5-dioctylphenyl]-6-methylanthracene;2-[3-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-5-(4-methyl-2,5-dioctylphenyl)phenyl]-1,10-phenanthroline;2-[4-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-6-(4-methyl-2,5-dioctylphenyl)pyrimidin-2-yl]-1,10-phenanthroline
PubChem CID160970680
Molecular FormulaC238H292N6
Molecular Weight3237.00 g/mol
Exact Mass3234.30
IUPAC Name2-[4-[3-(3,5-diphenylphenyl)-5-(4-methyl-2,5-dioctylphenyl)phenyl]-2,5-dioctylphenyl]-6-methylanthracene;2-[3-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-5-(4-methyl-2,5-dioctylphenyl)phenyl]-1,10-phenanthroline;2-[4-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-6-(4-methyl-2,5-dioctylphenyl)pyrimidin-2-yl]-1,10-phenanthroline
SMILESCCCCCCCCc1cc(-c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc(-c3cc(CCCCCCCC)c(-c4ccc5cc6cc(C)ccc6cc5c4)cc3CCCCCCCC)c2)c(CCCCCCCC)cc1C.CCCCCCCCc1cc(-c2cc(-c3cc(CCCCCCCC)c(-c4ccc5cc6cc(C)ccc6cc5c4)cc3CCCCCCCC)nc(-c3ccc4ccc5cccnc5c4n3)n2)c(CCCCCCCC)cc1C.CCCCCCCCc1cc(-c2cc(-c3ccc4ccc5cccnc5c4n3)cc(-c3cc(CCCCCCCC)c(-c4ccc5cc6cc(C)ccc6cc5c4)cc3CCCCCCCC)c2)c(CCCCCCCC)cc1C
InChIInChI=1S/C84H102.C78H96N2.C76H94N4/c1-7-11-15-19-23-29-41-67-60-83(70(50-64(67)6)42-30-24-20-16-12-8-2)80-57-79(78-55-75(65-37-33-27-34-38-65)54-76(56-78)66-39-35-28-36-40-66)58-81(59-80)84-62-71(43-31-25-21-17-13-9-3)82(61-72(84)44-32-26-22-18-14-10-4)73-48-47-69-51-74-49-63(5)45-46-68(74)52-77(69)53-73;1-7-11-15-19-23-27-32-61-54-74(64(47-58(61)6)33-28-24-20-16-12-8-2)70-51-71(53-72(52-70)76-44-43-60-40-39-59-36-31-45-79-77(59)78(60)80-76)75-56-65(34-29-25-21-17-13-9-3)73(55-66(75)35-30-26-22-18-14-10-4)67-42-41-63-48-68-46-57(5)37-38-62(68)49-69(63)50-67;1-7-11-15-19-23-27-32-59-51-69(62(47-56(59)6)33-28-24-20-16-12-8-2)72-54-73(80-76(79-72)71-44-43-58-40-39-57-36-31-45-77-74(57)75(58)78-71)70-53-63(34-29-25-21-17-13-9-3)68(52-64(70)35-30-26-22-18-14-10-4)65-42-41-61-48-66-46-55(5)37-38-60(66)49-67(61)50-65/h27-28,33-40,45-62H,7-26,29-32,41-44H2,1-6H3;31,36-56H,7-30,32-35H2,1-6H3;31,36-54H,7-30,32-35H2,1-6H3
InChIKeySYFDRLRTCUXJKZ-UHFFFAOYSA-N
XLogP72.99
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds98
Heavy Atoms244
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003237.00
LogP ≤ 572.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[3-(3,5-diphenylphenyl)-5-(4-methyl-2,5-dioctylphenyl)phenyl]-2,5-dioctylphenyl]-6-methylanthracene;2-[3-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-5-(4-methyl-2,5-dioctylphenyl)phenyl]-1,10-phenanthroline;2-[4-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-6-(4-methyl-2,5-dioctylphenyl)pyrimidin-2-yl]-1,10-phenanthroline with MolForge

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Related Compounds

2-[3-(6-methylanthracen-2-yl)-5-(4-methyl-2,5-dioctylphenyl)phenyl]triphenylene
CID 123604010
2-(2,5-dihexyl-4-methylphenyl)-6-methylnaphthalene;methane
CID 157345850
2-(3,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(3,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1,10-phenanthroline;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1,10-phenanthroline
CID 160630464
4-[4-(4-methyl-2,5-dioctylphenyl)-6-[4-[4-[6-[3-(4-methylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,5-dioctylphenyl]pyrimidin-2-yl]benzonitrile
CID 118345620
4-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-6-(4-methyl-2,5-dioctylphenyl)-2-(10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)pyrimidine
CID 118345616
1-[4-[3-(3,5-diphenylphenyl)-5-(4-methyl-2,5-dioctylphenyl)phenyl]-2,5-dioctylphenyl]-5-(4-methylphenyl)naphthalene
CID 123328178
4-[3-(4-methyl-2,5-dioctylphenyl)-5-[3-[2-(3-methylphenyl)phenyl]phenyl]phenyl]acenaphthylene
CID 123649427
2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]-1,10-phenanthroline;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]triphenylene;4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[4-(4-methylphenyl)phenyl]-2-triphenylen-2-ylpyrimidine
CID 161323168
2-[3-methyl-5-(1,10-phenanthrolin-2-yl)phenyl]-9-[3-(1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 144635240
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]-1,10-phenanthroline
CID 142752628
2-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 164780822
2-[3-(10-phenylanthracen-9-yl)-5-(4-pyrimidin-2-ylphenyl)phenyl]-1,10-phenanthroline
CID 142588778

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3,5-diphenylphenyl)-5-(4-methyl-2,5-dioctylphenyl)phenyl]-2,5-dioctylphenyl]-6-methylanthracene;2-[3-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-5-(4-methyl-2,5-dioctylphenyl)phenyl]-1,10-phenanthroline;2-[4-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-6-(4-methyl-2,5-dioctylphenyl)pyrimidin-2-yl]-1,10-phenanthroline?
The IUPAC name of 2-[4-[3-(3,5-diphenylphenyl)-5-(4-methyl-2,5-dioctylphenyl)phenyl]-2,5-dioctylphenyl]-6-methylanthracene;2-[3-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-5-(4-methyl-2,5-dioctylphenyl)phenyl]-1,10-phenanthroline;2-[4-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-6-(4-methyl-2,5-dioctylphenyl)pyrimidin-2-yl]-1,10-phenanthroline (CID 160970680) is 2-[4-[3-(3,5-diphenylphenyl)-5-(4-methyl-2,5-dioctylphenyl)phenyl]-2,5-dioctylphenyl]-6-methylanthracene;2-[3-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-5-(4-methyl-2,5-dioctylphenyl)phenyl]-1,10-phenanthroline;2-[4-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-6-(4-methyl-2,5-dioctylphenyl)pyrimidin-2-yl]-1,10-phenanthroline.
What is the SMILES notation for 2-[4-[3-(3,5-diphenylphenyl)-5-(4-methyl-2,5-dioctylphenyl)phenyl]-2,5-dioctylphenyl]-6-methylanthracene;2-[3-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-5-(4-methyl-2,5-dioctylphenyl)phenyl]-1,10-phenanthroline;2-[4-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-6-(4-methyl-2,5-dioctylphenyl)pyrimidin-2-yl]-1,10-phenanthroline?
The canonical SMILES for 2-[4-[3-(3,5-diphenylphenyl)-5-(4-methyl-2,5-dioctylphenyl)phenyl]-2,5-dioctylphenyl]-6-methylanthracene;2-[3-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-5-(4-methyl-2,5-dioctylphenyl)phenyl]-1,10-phenanthroline;2-[4-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-6-(4-methyl-2,5-dioctylphenyl)pyrimidin-2-yl]-1,10-phenanthroline is CCCCCCCCc1cc(-c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc(-c3cc(CCCCCCCC)c(-c4ccc5cc6cc(C)ccc6cc5c4)cc3CCCCCCCC)c2)c(CCCCCCCC)cc1C.CCCCCCCCc1cc(-c2cc(-c3cc(CCCCCCCC)c(-c4ccc5cc6cc(C)ccc6cc5c4)cc3CCCCCCCC)nc(-c3ccc4ccc5cccnc5c4n3)n2)c(CCCCCCCC)cc1C.CCCCCCCCc1cc(-c2cc(-c3ccc4ccc5cccnc5c4n3)cc(-c3cc(CCCCCCCC)c(-c4ccc5cc6cc(C)ccc6cc5c4)cc3CCCCCCCC)c2)c(CCCCCCCC)cc1C.
What is the InChIKey of 2-[4-[3-(3,5-diphenylphenyl)-5-(4-methyl-2,5-dioctylphenyl)phenyl]-2,5-dioctylphenyl]-6-methylanthracene;2-[3-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-5-(4-methyl-2,5-dioctylphenyl)phenyl]-1,10-phenanthroline;2-[4-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-6-(4-methyl-2,5-dioctylphenyl)pyrimidin-2-yl]-1,10-phenanthroline?
The InChIKey is SYFDRLRTCUXJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H102.C78H96N2.C76H94N4/c1-7-11-15-19-23-29-41-67-60-83(70(50-64(67)6)42-30-24-20-16-12-8-2)80-57-79(78-55-75(65-37-33-27-34-38-65)54-76(56-78)66-39-35-28-36-40-66)58-81(59-80)84-62-71(43-31-25-21-17-13-9-3)82(61-72(84)44-32-26-22-18-14-10-4)73-48-47-69-51-74-49-63(5)45-46-68(74)52-77(69)53-73;1-7-11-15-19-23-27-32-61-54-74(64(47-58(61)6)33-28-24-20-16-12-8-2)70-51-71(53-72(52-70)76-44-43-60-40-39-59-36-31-45-79-77(59)78(60)80-76)75-56-65(34-29-25-21-17-13-9-3)73(55-66(75)35-30-26-22-18-14-10-4)67-42-41-63-48-68-46-57(5)37-38-62(68)49-69(63)50-67;1-7-11-15-19-23-27-32-59-51-69(62(47-56(59)6)33-28-24-20-16-12-8-2)72-54-73(80-76(79-72)71-44-43-58-40-39-57-36-31-45-77-74(57)75(58)78-71)70-53-63(34-29-25-21-17-13-9-3)68(52-64(70)35-30-26-22-18-14-10-4)65-42-41-61-48-66-46-55(5)37-38-60(66)49-67(61)50-65/h27-28,33-40,45-62H,7-26,29-32,41-44H2,1-6H3;31,36-56H,7-30,32-35H2,1-6H3;31,36-54H,7-30,32-35H2,1-6H3.
What are the key properties of 2-[4-[3-(3,5-diphenylphenyl)-5-(4-methyl-2,5-dioctylphenyl)phenyl]-2,5-dioctylphenyl]-6-methylanthracene;2-[3-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-5-(4-methyl-2,5-dioctylphenyl)phenyl]-1,10-phenanthroline;2-[4-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-6-(4-methyl-2,5-dioctylphenyl)pyrimidin-2-yl]-1,10-phenanthroline?
2-[4-[3-(3,5-diphenylphenyl)-5-(4-methyl-2,5-dioctylphenyl)phenyl]-2,5-dioctylphenyl]-6-methylanthracene;2-[3-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-5-(4-methyl-2,5-dioctylphenyl)phenyl]-1,10-phenanthroline;2-[4-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-6-(4-methyl-2,5-dioctylphenyl)pyrimidin-2-yl]-1,10-phenanthroline has a molecular weight of 3237.00 g/mol, XLogP of 72.99, 98 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3,5-diphenylphenyl)-5-(4-methyl-2,5-dioctylphenyl)phenyl]-2,5-dioctylphenyl]-6-methylanthracene;2-[3-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-5-(4-methyl-2,5-dioctylphenyl)phenyl]-1,10-phenanthroline;2-[4-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-6-(4-methyl-2,5-dioctylphenyl)pyrimidin-2-yl]-1,10-phenanthroline is sourced from PubChem (CID 160970680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).