9-[3-carbazol-9-yl-5-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;3,6-ditert-butyl-9-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;N-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

C139H113N13 — CID 157094027

IUPAC9-[3-carbazol-9-yl-5-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;3,6-ditert-butyl-9-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;N-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(-n2c(-c3cccnc3)ccc2-c2cccnc2)cc1-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.Cc1ccc(-n2c(-c3cccnc3)ccc2-c2cccnc2)cc1-c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc(-n4c(-c5cccnc5)ccc4-c4cccnc4)ccc3C)cc2)cc1
InChIInChI=1S/C51H35N5.C47H44N4.C41H34N4/c1-34-22-23-38(54-46(35-12-10-26-52-32-35)24-25-47(54)36-13-11-27-53-33-36)31-45(34)37-28-39(55-48-18-6-2-14-41(48)42-15-3-7-19-49(42)55)30-40(29-37)56-50-20-8-4-16-43(50)44-17-5-9-21-51(44)56;1-31-12-17-38(51-42(33-10-8-24-48-29-33)22-23-43(51)34-11-9-25-49-30-34)28-39(31)32-13-18-37(19-14-32)50-44-20-15-35(46(2,3)4)26-40(44)41-27-36(47(5,6)7)16-21-45(41)50;1-29-8-15-35(16-9-29)44(36-17-10-30(2)11-18-36)37-20-13-32(14-21-37)39-26-38(19-12-31(39)3)45-40(33-6-4-24-42-27-33)22-23-41(45)34-7-5-25-43-28-34/h2-33H,1H3;8-30H,1-7H3;4-28H,1-3H3
InChIKeyAEZNBCCYNSJVRR-UHFFFAOYSA-N
MW1965.52 g/mol
LogP35.70
Rot. Bonds18

About 9-[3-carbazol-9-yl-5-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;3,6-ditert-butyl-9-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;N-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

9-[3-carbazol-9-yl-5-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;3,6-ditert-butyl-9-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;N-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 157094027) has the molecular formula C139H113N13 and a molecular weight of 1965.52 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;3,6-ditert-butyl-9-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;N-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;3,6-ditert-butyl-9-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;N-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID157094027
Molecular FormulaC139H113N13
Molecular Weight1965.52 g/mol
Exact Mass1963.92
IUPAC Name9-[3-carbazol-9-yl-5-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;3,6-ditert-butyl-9-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;N-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(-n2c(-c3cccnc3)ccc2-c2cccnc2)cc1-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.Cc1ccc(-n2c(-c3cccnc3)ccc2-c2cccnc2)cc1-c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc(-n4c(-c5cccnc5)ccc4-c4cccnc4)ccc3C)cc2)cc1
InChIInChI=1S/C51H35N5.C47H44N4.C41H34N4/c1-34-22-23-38(54-46(35-12-10-26-52-32-35)24-25-47(54)36-13-11-27-53-33-36)31-45(34)37-28-39(55-48-18-6-2-14-41(48)42-15-3-7-19-49(42)55)30-40(29-37)56-50-20-8-4-16-43(50)44-17-5-9-21-51(44)56;1-31-12-17-38(51-42(33-10-8-24-48-29-33)22-23-43(51)34-11-9-25-49-30-34)28-39(31)32-13-18-37(19-14-32)50-44-20-15-35(46(2,3)4)26-40(44)41-27-36(47(5,6)7)16-21-45(41)50;1-29-8-15-35(16-9-29)44(36-17-10-30(2)11-18-36)37-20-13-32(14-21-37)39-26-38(19-12-31(39)3)45-40(33-6-4-24-42-27-33)22-23-41(45)34-7-5-25-43-28-34/h2-33H,1H3;8-30H,1-7H3;4-28H,1-3H3
InChIKeyAEZNBCCYNSJVRR-UHFFFAOYSA-N
XLogP35.70
TPSA110.16 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001965.52
LogP ≤ 535.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 9-[3-carbazol-9-yl-5-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;3,6-ditert-butyl-9-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;N-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;3,6-ditert-butyl-9-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;N-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of 9-[3-carbazol-9-yl-5-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;3,6-ditert-butyl-9-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;N-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 157094027) is 9-[3-carbazol-9-yl-5-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;3,6-ditert-butyl-9-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;N-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;3,6-ditert-butyl-9-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;N-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for 9-[3-carbazol-9-yl-5-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;3,6-ditert-butyl-9-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;N-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(-n2c(-c3cccnc3)ccc2-c2cccnc2)cc1-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.Cc1ccc(-n2c(-c3cccnc3)ccc2-c2cccnc2)cc1-c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc(-n4c(-c5cccnc5)ccc4-c4cccnc4)ccc3C)cc2)cc1.
What is the InChIKey of 9-[3-carbazol-9-yl-5-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;3,6-ditert-butyl-9-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;N-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is AEZNBCCYNSJVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N5.C47H44N4.C41H34N4/c1-34-22-23-38(54-46(35-12-10-26-52-32-35)24-25-47(54)36-13-11-27-53-33-36)31-45(34)37-28-39(55-48-18-6-2-14-41(48)42-15-3-7-19-49(42)55)30-40(29-37)56-50-20-8-4-16-43(50)44-17-5-9-21-51(44)56;1-31-12-17-38(51-42(33-10-8-24-48-29-33)22-23-43(51)34-11-9-25-49-30-34)28-39(31)32-13-18-37(19-14-32)50-44-20-15-35(46(2,3)4)26-40(44)41-27-36(47(5,6)7)16-21-45(41)50;1-29-8-15-35(16-9-29)44(36-17-10-30(2)11-18-36)37-20-13-32(14-21-37)39-26-38(19-12-31(39)3)45-40(33-6-4-24-42-27-33)22-23-41(45)34-7-5-25-43-28-34/h2-33H,1H3;8-30H,1-7H3;4-28H,1-3H3.
What are the key properties of 9-[3-carbazol-9-yl-5-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;3,6-ditert-butyl-9-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;N-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
9-[3-carbazol-9-yl-5-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;3,6-ditert-butyl-9-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;N-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 1965.52 g/mol, XLogP of 35.70, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;3,6-ditert-butyl-9-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]carbazole;N-[4-[5-(2,5-dipyridin-3-ylpyrrol-1-yl)-2-methylphenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 157094027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).