lithium;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;quinolin-1-ium-8-olate

C129H103LiN9O+ — CID 158662258

IUPAClithium;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;quinolin-1-ium-8-olate
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)CCCCC3)cc2)cc1.[Li+].[O-]c1cccc2ccc[nH+]c12.c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.c1cncc(-c2cc(-c3cccnc3)cc(-c3cccc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)c3)c2)c1
InChIInChI=1S/C46H46N2.C38H26N4.C36H24N2.C9H7NO.Li/c1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43;1-6-27(33-17-35(29-8-2-12-39-23-29)21-36(18-33)30-9-3-13-40-24-30)16-28(7-1)34-19-37(31-10-4-14-41-25-31)22-38(20-34)32-11-5-15-42-26-32;1-5-19-33-29(15-1)30-16-2-6-20-34(30)37(33)27-13-9-11-25(23-27)26-12-10-14-28(24-26)38-35-21-7-3-17-31(35)32-18-4-8-22-36(32)38;11-8-5-1-3-7-4-2-6-10-9(7)8;/h8-31H,5-7,32-33H2,1-4H3;1-26H;1-24H;1-6,11H;/q;;;;+1
InChIKeyICXBQGUBXDZTOL-UHFFFAOYSA-N
MW1802.25 g/mol
LogP29.66
Rot. Bonds17

About lithium;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;quinolin-1-ium-8-olate

lithium;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;quinolin-1-ium-8-olate (PubChem CID 158662258) has the molecular formula C129H103LiN9O+ and a molecular weight of 1802.25 g/mol. Its IUPAC name is lithium;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;quinolin-1-ium-8-olate.

Molecular Properties

Compound Namelithium;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;quinolin-1-ium-8-olate
PubChem CID158662258
Molecular FormulaC129H103LiN9O+
Molecular Weight1802.25 g/mol
Exact Mass1800.84
IUPAC Namelithium;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;quinolin-1-ium-8-olate
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)CCCCC3)cc2)cc1.[Li+].[O-]c1cccc2ccc[nH+]c12.c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.c1cncc(-c2cc(-c3cccnc3)cc(-c3cccc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)c3)c2)c1
InChIInChI=1S/C46H46N2.C38H26N4.C36H24N2.C9H7NO.Li/c1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43;1-6-27(33-17-35(29-8-2-12-39-23-29)21-36(18-33)30-9-3-13-40-24-30)16-28(7-1)34-19-37(31-10-4-14-41-25-31)22-38(20-34)32-11-5-15-42-26-32;1-5-19-33-29(15-1)30-16-2-6-20-34(30)37(33)27-13-9-11-25(23-27)26-12-10-14-28(24-26)38-35-21-7-3-17-31(35)32-18-4-8-22-36(32)38;11-8-5-1-3-7-4-2-6-10-9(7)8;/h8-31H,5-7,32-33H2,1-4H3;1-26H;1-24H;1-6,11H;/q;;;;+1
InChIKeyICXBQGUBXDZTOL-UHFFFAOYSA-N
XLogP29.66
TPSA105.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001802.25
LogP ≤ 529.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze lithium;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;quinolin-1-ium-8-olate with MolForge

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Related Compounds

3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline
CID 160910551
CID 158638983
CID 158638983
4-methyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]aniline
CID 163511732
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 122659667
9-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 163478343
N-phenyl-4-(9-phenylcarbazol-2-yl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline
CID 163606213
N-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59372069
3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole
CID 126749641
4-(3-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;9-[3-[3-(3-carbazol-9-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161275498
20-(3-pyridin-3-ylphenyl)-2,20-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.021,26]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),21,23,25-tridecaene
CID 90432112
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566213
26-(3-pyridin-3-ylphenyl)-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene
CID 90432851

Frequently Asked Questions

What is the IUPAC name of lithium;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;quinolin-1-ium-8-olate?
The IUPAC name of lithium;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;quinolin-1-ium-8-olate (CID 158662258) is lithium;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;quinolin-1-ium-8-olate.
What is the SMILES notation for lithium;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;quinolin-1-ium-8-olate?
The canonical SMILES for lithium;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;quinolin-1-ium-8-olate is Cc1ccc(N(c2ccc(C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)CCCCC3)cc2)cc1.[Li+].[O-]c1cccc2ccc[nH+]c12.c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.c1cncc(-c2cc(-c3cccnc3)cc(-c3cccc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)c3)c2)c1.
What is the InChIKey of lithium;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;quinolin-1-ium-8-olate?
The InChIKey is ICXBQGUBXDZTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H46N2.C38H26N4.C36H24N2.C9H7NO.Li/c1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43;1-6-27(33-17-35(29-8-2-12-39-23-29)21-36(18-33)30-9-3-13-40-24-30)16-28(7-1)34-19-37(31-10-4-14-41-25-31)22-38(20-34)32-11-5-15-42-26-32;1-5-19-33-29(15-1)30-16-2-6-20-34(30)37(33)27-13-9-11-25(23-27)26-12-10-14-28(24-26)38-35-21-7-3-17-31(35)32-18-4-8-22-36(32)38;11-8-5-1-3-7-4-2-6-10-9(7)8;/h8-31H,5-7,32-33H2,1-4H3;1-26H;1-24H;1-6,11H;/q;;;;+1.
What are the key properties of lithium;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;quinolin-1-ium-8-olate?
lithium;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;quinolin-1-ium-8-olate has a molecular weight of 1802.25 g/mol, XLogP of 29.66, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;quinolin-1-ium-8-olate is sourced from PubChem (CID 158662258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).