1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole

C155H116N8O2 — CID 159726576

IUPAC1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1.Cc1ccccc1N(c1ccc2ccc3c(N(c4ccccc4C)c4cccc5c4oc4c(C(C)(C)C)cccc45)ccc4ccc1c2c43)c1cccc2c1oc1c(C(C)(C)C)cccc12.c1ccc(-c2cccc(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C62H52N2O2.C52H34N4.C41H30N2/c1-37-17-9-11-25-49(37)63(53-27-15-21-43-41-19-13-23-47(61(3,4)5)57(41)65-59(43)53)51-35-31-39-30-34-46-52(36-32-40-29-33-45(51)55(39)56(40)46)64(50-26-12-10-18-38(50)2)54-28-16-22-44-42-20-14-24-48(62(6,7)8)58(42)66-60(44)54;1-3-16-35(17-4-1)37-20-15-21-38(30-37)46-34-47(54-52(53-46)36-18-5-2-6-19-36)39-31-40(55-48-26-11-7-22-42(48)43-23-8-12-27-49(43)55)33-41(32-39)56-50-28-13-9-24-44(50)45-25-10-14-29-51(45)56;1-2-39-42-37-18-10-11-19-38(37)43(39)32-26-24-31(25-27-32)41-35-16-8-6-14-33(35)40(34-15-7-9-17-36(34)41)30-22-20-29(21-23-30)28-12-4-3-5-13-28/h9-36H,1-8H3;1-34H;3-27H,2H2,1H3
InChIKeyNASCGXORDXBITP-UHFFFAOYSA-N
MW2122.69 g/mol
LogP42.77
Rot. Bonds17

About 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole

1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole (PubChem CID 159726576) has the molecular formula C155H116N8O2 and a molecular weight of 2122.69 g/mol. Its IUPAC name is 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
PubChem CID159726576
Molecular FormulaC155H116N8O2
Molecular Weight2122.69 g/mol
Exact Mass2120.92
IUPAC Name1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1.Cc1ccccc1N(c1ccc2ccc3c(N(c4ccccc4C)c4cccc5c4oc4c(C(C)(C)C)cccc45)ccc4ccc1c2c43)c1cccc2c1oc1c(C(C)(C)C)cccc12.c1ccc(-c2cccc(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C62H52N2O2.C52H34N4.C41H30N2/c1-37-17-9-11-25-49(37)63(53-27-15-21-43-41-19-13-23-47(61(3,4)5)57(41)65-59(43)53)51-35-31-39-30-34-46-52(36-32-40-29-33-45(51)55(39)56(40)46)64(50-26-12-10-18-38(50)2)54-28-16-22-44-42-20-14-24-48(62(6,7)8)58(42)66-60(44)54;1-3-16-35(17-4-1)37-20-15-21-38(30-37)46-34-47(54-52(53-46)36-18-5-2-6-19-36)39-31-40(55-48-26-11-7-22-42(48)43-23-8-12-27-49(43)55)33-41(32-39)56-50-28-13-9-24-44(50)45-25-10-14-29-51(45)56;1-2-39-42-37-18-10-11-19-38(37)43(39)32-26-24-31(25-27-32)41-35-16-8-6-14-33(35)40(34-15-7-9-17-36(34)41)30-22-20-29(21-23-30)28-12-4-3-5-13-28/h9-36H,1-8H3;1-34H;3-27H,2H2,1H3
InChIKeyNASCGXORDXBITP-UHFFFAOYSA-N
XLogP42.77
TPSA86.22 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002122.69
LogP ≤ 542.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole with MolForge

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Related Compounds

1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 159385906
9-[3-carbazol-9-yl-5-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 163491077
9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 159819873
CID 159802949
CID 159802949
9-[carbazol-9-yl-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]methyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 158119112
1,5-bis(2,4-diphenylphenyl)tetracene;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;methane
CID 158744095
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 160637749
2-ethyl-1-[4-[10-phenyl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166043045
2-ethyl-1-[4-(3-phenyl-10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 166042892
2-ethyl-1-[4-(10-phenanthren-4-yl-2-phenylanthracen-9-yl)phenyl]benzimidazole
CID 166042890
9-(3-carbazol-9-ylphenyl)carbazole;8-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;3-(9-phenylcarbazol-3-yl)-9-(2,4,6-triphenylpyrimidin-5-yl)carbazole
CID 159512867
2-ethyl-1-[4-[3-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166042959

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole?
The IUPAC name of 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole (CID 159726576) is 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole.
What is the SMILES notation for 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole?
The canonical SMILES for 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole is CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1.Cc1ccccc1N(c1ccc2ccc3c(N(c4ccccc4C)c4cccc5c4oc4c(C(C)(C)C)cccc45)ccc4ccc1c2c43)c1cccc2c1oc1c(C(C)(C)C)cccc12.c1ccc(-c2cccc(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole?
The InChIKey is NASCGXORDXBITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H52N2O2.C52H34N4.C41H30N2/c1-37-17-9-11-25-49(37)63(53-27-15-21-43-41-19-13-23-47(61(3,4)5)57(41)65-59(43)53)51-35-31-39-30-34-46-52(36-32-40-29-33-45(51)55(39)56(40)46)64(50-26-12-10-18-38(50)2)54-28-16-22-44-42-20-14-24-48(62(6,7)8)58(42)66-60(44)54;1-3-16-35(17-4-1)37-20-15-21-38(30-37)46-34-47(54-52(53-46)36-18-5-2-6-19-36)39-31-40(55-48-26-11-7-22-42(48)43-23-8-12-27-49(43)55)33-41(32-39)56-50-28-13-9-24-44(50)45-25-10-14-29-51(45)56;1-2-39-42-37-18-10-11-19-38(37)43(39)32-26-24-31(25-27-32)41-35-16-8-6-14-33(35)40(34-15-7-9-17-36(34)41)30-22-20-29(21-23-30)28-12-4-3-5-13-28/h9-36H,1-8H3;1-34H;3-27H,2H2,1H3.
What are the key properties of 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole?
1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole has a molecular weight of 2122.69 g/mol, XLogP of 42.77, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole is sourced from PubChem (CID 159726576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).