3-(5-anthracen-9-yl-2-pyridinyl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(2-anthracen-9-ylpyrimidin-5-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(3-anthracen-9-yl-1,2,4-triazin-6-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole

C177H141N15 — CID 161458876

IUPAC3-(5-anthracen-9-yl-2-pyridinyl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(2-anthracen-9-ylpyrimidin-5-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(3-anthracen-9-yl-1,2,4-triazin-6-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(-c3c4ccccc4cc4ccccc34)cn2)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2cnc(-c3c4ccccc4cc4ccccc34)nc2)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2cnc(-c3c4ccccc4cc4ccccc34)nn2)cc1
InChIInChI=1S/C60H48N4.C59H47N5.C58H46N6/c1-59(2,3)41-26-30-52-50(34-41)51-35-42(60(4,5)6)27-31-53(51)63(52)43-28-23-37(24-29-43)58-62-56-48-21-13-11-19-46(48)47-20-12-14-22-49(47)57(56)64(58)54-32-25-40(36-61-54)55-44-17-9-7-15-38(44)33-39-16-8-10-18-45(39)55;1-58(2,3)39-25-29-51-49(32-39)50-33-40(59(4,5)6)26-30-52(50)63(51)41-27-23-36(24-28-41)57-62-54-47-21-13-11-19-45(47)46-20-12-14-22-48(46)55(54)64(57)42-34-60-56(61-35-42)53-43-17-9-7-15-37(43)31-38-16-8-10-18-44(38)53;1-57(2,3)38-25-29-49-47(32-38)48-33-39(58(4,5)6)26-30-50(48)63(49)40-27-23-35(24-28-40)56-60-53-45-21-13-11-19-43(45)44-20-12-14-22-46(44)54(53)64(56)51-34-59-55(62-61-51)52-41-17-9-7-15-36(41)31-37-16-8-10-18-42(37)52/h7-36H,1-6H3;7-35H,1-6H3;7-34H,1-6H3
InChIKeyWBNMPYVXYYRLLW-UHFFFAOYSA-N
MW2478.18 g/mol
LogP46.36
Rot. Bonds12

About 3-(5-anthracen-9-yl-2-pyridinyl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(2-anthracen-9-ylpyrimidin-5-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(3-anthracen-9-yl-1,2,4-triazin-6-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole

3-(5-anthracen-9-yl-2-pyridinyl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(2-anthracen-9-ylpyrimidin-5-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(3-anthracen-9-yl-1,2,4-triazin-6-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole (PubChem CID 161458876) has the molecular formula C177H141N15 and a molecular weight of 2478.18 g/mol. Its IUPAC name is 3-(5-anthracen-9-yl-2-pyridinyl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(2-anthracen-9-ylpyrimidin-5-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(3-anthracen-9-yl-1,2,4-triazin-6-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name3-(5-anthracen-9-yl-2-pyridinyl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(2-anthracen-9-ylpyrimidin-5-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(3-anthracen-9-yl-1,2,4-triazin-6-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole
PubChem CID161458876
Molecular FormulaC177H141N15
Molecular Weight2478.18 g/mol
Exact Mass2476.15
IUPAC Name3-(5-anthracen-9-yl-2-pyridinyl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(2-anthracen-9-ylpyrimidin-5-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(3-anthracen-9-yl-1,2,4-triazin-6-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(-c3c4ccccc4cc4ccccc34)cn2)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2cnc(-c3c4ccccc4cc4ccccc34)nc2)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2cnc(-c3c4ccccc4cc4ccccc34)nn2)cc1
InChIInChI=1S/C60H48N4.C59H47N5.C58H46N6/c1-59(2,3)41-26-30-52-50(34-41)51-35-42(60(4,5)6)27-31-53(51)63(52)43-28-23-37(24-29-43)58-62-56-48-21-13-11-19-46(48)47-20-12-14-22-49(47)57(56)64(58)54-32-25-40(36-61-54)55-44-17-9-7-15-38(44)33-39-16-8-10-18-45(39)55;1-58(2,3)39-25-29-51-49(32-39)50-33-40(59(4,5)6)26-30-52(50)63(51)41-27-23-36(24-28-41)57-62-54-47-21-13-11-19-45(47)46-20-12-14-22-48(46)55(54)64(57)42-34-60-56(61-35-42)53-43-17-9-7-15-37(43)31-38-16-8-10-18-44(38)53;1-57(2,3)38-25-29-49-47(32-38)48-33-39(58(4,5)6)26-30-50(48)63(49)40-27-23-35(24-28-40)56-60-53-45-21-13-11-19-43(45)44-20-12-14-22-46(44)54(53)64(56)51-34-59-55(62-61-51)52-41-17-9-7-15-36(41)31-37-16-8-10-18-42(37)52/h7-36H,1-6H3;7-35H,1-6H3;7-34H,1-6H3
InChIKeyWBNMPYVXYYRLLW-UHFFFAOYSA-N
XLogP46.36
TPSA145.59 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002478.18
LogP ≤ 546.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 3-(5-anthracen-9-yl-2-pyridinyl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(2-anthracen-9-ylpyrimidin-5-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(3-anthracen-9-yl-1,2,4-triazin-6-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole with MolForge

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Related Compounds

3-(2-anthracen-9-ylpyrimidin-5-yl)-2-(4-carbazol-9-ylphenyl)phenanthro[9,10-d]imidazole
CID 134249995
2-(4-tert-butylphenyl)-3-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]imidazole
CID 139202448
9-(4-benzo[b]triphenylen-9-ylphenyl)-3,6-ditert-butylcarbazole
CID 126633197
3,6-ditert-butyl-9-[9-[5-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-2-pyridinyl]carbazol-3-yl]carbazole
CID 163857203
2,3-bis[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole
CID 132503187
3-(4-methylphenyl)-2-phenylphenanthro[9,10-d]imidazole
CID 139176008
3-(6-anthracen-9-yl-3-pyridinyl)-2-[4-(9,9-dimethyl-4a,8a,9a,10a-tetrahydroacridin-10-yl)phenyl]phenanthro[9,10-d]imidazole
CID 134250053
3,6-ditert-butyl-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 59844594
3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 88598678
3-[3,5-bis(3-tert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89475598
9-[4-[5-(4-tert-butylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]carbazole
CID 59500034
11-phenyl-12-[4-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500785

Frequently Asked Questions

What is the IUPAC name of 3-(5-anthracen-9-yl-2-pyridinyl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(2-anthracen-9-ylpyrimidin-5-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(3-anthracen-9-yl-1,2,4-triazin-6-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole?
The IUPAC name of 3-(5-anthracen-9-yl-2-pyridinyl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(2-anthracen-9-ylpyrimidin-5-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(3-anthracen-9-yl-1,2,4-triazin-6-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole (CID 161458876) is 3-(5-anthracen-9-yl-2-pyridinyl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(2-anthracen-9-ylpyrimidin-5-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(3-anthracen-9-yl-1,2,4-triazin-6-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole.
What is the SMILES notation for 3-(5-anthracen-9-yl-2-pyridinyl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(2-anthracen-9-ylpyrimidin-5-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(3-anthracen-9-yl-1,2,4-triazin-6-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole?
The canonical SMILES for 3-(5-anthracen-9-yl-2-pyridinyl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(2-anthracen-9-ylpyrimidin-5-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(3-anthracen-9-yl-1,2,4-triazin-6-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(-c3c4ccccc4cc4ccccc34)cn2)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2cnc(-c3c4ccccc4cc4ccccc34)nc2)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2cnc(-c3c4ccccc4cc4ccccc34)nn2)cc1.
What is the InChIKey of 3-(5-anthracen-9-yl-2-pyridinyl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(2-anthracen-9-ylpyrimidin-5-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(3-anthracen-9-yl-1,2,4-triazin-6-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole?
The InChIKey is WBNMPYVXYYRLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N4.C59H47N5.C58H46N6/c1-59(2,3)41-26-30-52-50(34-41)51-35-42(60(4,5)6)27-31-53(51)63(52)43-28-23-37(24-29-43)58-62-56-48-21-13-11-19-46(48)47-20-12-14-22-49(47)57(56)64(58)54-32-25-40(36-61-54)55-44-17-9-7-15-38(44)33-39-16-8-10-18-45(39)55;1-58(2,3)39-25-29-51-49(32-39)50-33-40(59(4,5)6)26-30-52(50)63(51)41-27-23-36(24-28-41)57-62-54-47-21-13-11-19-45(47)46-20-12-14-22-48(46)55(54)64(57)42-34-60-56(61-35-42)53-43-17-9-7-15-37(43)31-38-16-8-10-18-44(38)53;1-57(2,3)38-25-29-49-47(32-38)48-33-39(58(4,5)6)26-30-50(48)63(49)40-27-23-35(24-28-40)56-60-53-45-21-13-11-19-43(45)44-20-12-14-22-46(44)54(53)64(56)51-34-59-55(62-61-51)52-41-17-9-7-15-36(41)31-37-16-8-10-18-42(37)52/h7-36H,1-6H3;7-35H,1-6H3;7-34H,1-6H3.
What are the key properties of 3-(5-anthracen-9-yl-2-pyridinyl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(2-anthracen-9-ylpyrimidin-5-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(3-anthracen-9-yl-1,2,4-triazin-6-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole?
3-(5-anthracen-9-yl-2-pyridinyl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(2-anthracen-9-ylpyrimidin-5-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(3-anthracen-9-yl-1,2,4-triazin-6-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole has a molecular weight of 2478.18 g/mol, XLogP of 46.36, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-anthracen-9-yl-2-pyridinyl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(2-anthracen-9-ylpyrimidin-5-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(3-anthracen-9-yl-1,2,4-triazin-6-yl)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole is sourced from PubChem (CID 161458876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).