tris(carbon dioxide);methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzoate;methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzoate;methyl 4-[3-[N-[9-(4-methylphenyl)carbazol-3-yl]-4-(4-phenylphenyl)anilino]carbazol-9-yl]benzoate

C156H111N9O12 — CID 159640490

IUPACtris(carbon dioxide);methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzoate;methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzoate;methyl 4-[3-[N-[9-(4-methylphenyl)carbazol-3-yl]-4-(4-phenylphenyl)anilino]carbazol-9-yl]benzoate
SMILESCOC(=O)c1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(C)cc4)ccc32)cc1.COC(=O)c1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(C)cc4)ccc32)cc1.COC(=O)c1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(C)cc4)ccc32)cc1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C57H41N3O2.C51H37N3O2.C45H33N3O2.3CO2/c1-38-16-26-45(27-17-38)59-53-14-8-6-12-49(53)51-36-47(32-34-55(51)59)58(44-28-22-42(23-29-44)41-20-18-40(19-21-41)39-10-4-3-5-11-39)48-33-35-56-52(37-48)50-13-7-9-15-54(50)60(56)46-30-24-43(25-31-46)57(61)62-2;1-34-16-22-39(23-17-34)53-47-14-8-6-12-43(47)45-32-41(28-30-49(45)53)52(38-24-18-36(19-25-38)35-10-4-3-5-11-35)42-29-31-50-46(33-42)44-13-7-9-15-48(44)54(50)40-26-20-37(21-27-40)51(55)56-2;1-30-16-20-33(21-17-30)47-41-14-8-6-12-37(41)39-28-35(24-26-43(39)47)46(32-10-4-3-5-11-32)36-25-27-44-40(29-36)38-13-7-9-15-42(38)48(44)34-22-18-31(19-23-34)45(49)50-2;3*2-1-3/h3-37H,1-2H3;3-33H,1-2H3;3-29H,1-2H3;;;
InChIKeyMQHFPRITDVKKBC-UHFFFAOYSA-N
MW2303.65 g/mol
LogP37.59
Rot. Bonds21

About tris(carbon dioxide);methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzoate;methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzoate;methyl 4-[3-[N-[9-(4-methylphenyl)carbazol-3-yl]-4-(4-phenylphenyl)anilino]carbazol-9-yl]benzoate

tris(carbon dioxide);methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzoate;methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzoate;methyl 4-[3-[N-[9-(4-methylphenyl)carbazol-3-yl]-4-(4-phenylphenyl)anilino]carbazol-9-yl]benzoate (PubChem CID 159640490) has the molecular formula C156H111N9O12 and a molecular weight of 2303.65 g/mol. Its IUPAC name is tris(carbon dioxide);methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzoate;methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzoate;methyl 4-[3-[N-[9-(4-methylphenyl)carbazol-3-yl]-4-(4-phenylphenyl)anilino]carbazol-9-yl]benzoate.

Molecular Properties

Compound Nametris(carbon dioxide);methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzoate;methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzoate;methyl 4-[3-[N-[9-(4-methylphenyl)carbazol-3-yl]-4-(4-phenylphenyl)anilino]carbazol-9-yl]benzoate
PubChem CID159640490
Molecular FormulaC156H111N9O12
Molecular Weight2303.65 g/mol
Exact Mass2301.84
IUPAC Nametris(carbon dioxide);methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzoate;methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzoate;methyl 4-[3-[N-[9-(4-methylphenyl)carbazol-3-yl]-4-(4-phenylphenyl)anilino]carbazol-9-yl]benzoate
SMILESCOC(=O)c1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(C)cc4)ccc32)cc1.COC(=O)c1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(C)cc4)ccc32)cc1.COC(=O)c1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(C)cc4)ccc32)cc1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C57H41N3O2.C51H37N3O2.C45H33N3O2.3CO2/c1-38-16-26-45(27-17-38)59-53-14-8-6-12-49(53)51-36-47(32-34-55(51)59)58(44-28-22-42(23-29-44)41-20-18-40(19-21-41)39-10-4-3-5-11-39)48-33-35-56-52(37-48)50-13-7-9-15-54(50)60(56)46-30-24-43(25-31-46)57(61)62-2;1-34-16-22-39(23-17-34)53-47-14-8-6-12-43(47)45-32-41(28-30-49(45)53)52(38-24-18-36(19-25-38)35-10-4-3-5-11-35)42-29-31-50-46(33-42)44-13-7-9-15-48(44)54(50)40-26-20-37(21-27-40)51(55)56-2;1-30-16-20-33(21-17-30)47-41-14-8-6-12-37(41)39-28-35(24-26-43(39)47)46(32-10-4-3-5-11-32)36-25-27-44-40(29-36)38-13-7-9-15-42(38)48(44)34-22-18-31(19-23-34)45(49)50-2;3*2-1-3/h3-37H,1-2H3;3-33H,1-2H3;3-29H,1-2H3;;;
InChIKeyMQHFPRITDVKKBC-UHFFFAOYSA-N
XLogP37.59
TPSA220.62 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002303.65
LogP ≤ 537.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tris(carbon dioxide);methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzoate;methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzoate;methyl 4-[3-[N-[9-(4-methylphenyl)carbazol-3-yl]-4-(4-phenylphenyl)anilino]carbazol-9-yl]benzoate with MolForge

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Related Compounds

methyl 4-[3-[N-[9-(4-methoxycarbonylphenyl)carbazol-3-yl]-4-[4-(4-phenylphenyl)phenyl]anilino]carbazol-9-yl]benzoate
CID 126595688
methyl 4-[3-[bis[9-(4-methylphenyl)carbazol-3-yl]amino]carbazol-9-yl]benzoate
CID 126585601
methyl 4-[3-(N-[9-(4-methoxycarbonylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzoate
CID 126595795
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
methyl 3-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(3-methoxycarbonylphenyl)anthracen-9-yl]benzoate
CID 59211124
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline
CID 146331747
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963

Frequently Asked Questions

What is the IUPAC name of tris(carbon dioxide);methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzoate;methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzoate;methyl 4-[3-[N-[9-(4-methylphenyl)carbazol-3-yl]-4-(4-phenylphenyl)anilino]carbazol-9-yl]benzoate?
The IUPAC name of tris(carbon dioxide);methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzoate;methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzoate;methyl 4-[3-[N-[9-(4-methylphenyl)carbazol-3-yl]-4-(4-phenylphenyl)anilino]carbazol-9-yl]benzoate (CID 159640490) is tris(carbon dioxide);methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzoate;methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzoate;methyl 4-[3-[N-[9-(4-methylphenyl)carbazol-3-yl]-4-(4-phenylphenyl)anilino]carbazol-9-yl]benzoate.
What is the SMILES notation for tris(carbon dioxide);methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzoate;methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzoate;methyl 4-[3-[N-[9-(4-methylphenyl)carbazol-3-yl]-4-(4-phenylphenyl)anilino]carbazol-9-yl]benzoate?
The canonical SMILES for tris(carbon dioxide);methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzoate;methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzoate;methyl 4-[3-[N-[9-(4-methylphenyl)carbazol-3-yl]-4-(4-phenylphenyl)anilino]carbazol-9-yl]benzoate is COC(=O)c1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(C)cc4)ccc32)cc1.COC(=O)c1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(C)cc4)ccc32)cc1.COC(=O)c1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(C)cc4)ccc32)cc1.O=C=O.O=C=O.O=C=O.
What is the InChIKey of tris(carbon dioxide);methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzoate;methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzoate;methyl 4-[3-[N-[9-(4-methylphenyl)carbazol-3-yl]-4-(4-phenylphenyl)anilino]carbazol-9-yl]benzoate?
The InChIKey is MQHFPRITDVKKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N3O2.C51H37N3O2.C45H33N3O2.3CO2/c1-38-16-26-45(27-17-38)59-53-14-8-6-12-49(53)51-36-47(32-34-55(51)59)58(44-28-22-42(23-29-44)41-20-18-40(19-21-41)39-10-4-3-5-11-39)48-33-35-56-52(37-48)50-13-7-9-15-54(50)60(56)46-30-24-43(25-31-46)57(61)62-2;1-34-16-22-39(23-17-34)53-47-14-8-6-12-43(47)45-32-41(28-30-49(45)53)52(38-24-18-36(19-25-38)35-10-4-3-5-11-35)42-29-31-50-46(33-42)44-13-7-9-15-48(44)54(50)40-26-20-37(21-27-40)51(55)56-2;1-30-16-20-33(21-17-30)47-41-14-8-6-12-37(41)39-28-35(24-26-43(39)47)46(32-10-4-3-5-11-32)36-25-27-44-40(29-36)38-13-7-9-15-42(38)48(44)34-22-18-31(19-23-34)45(49)50-2;3*2-1-3/h3-37H,1-2H3;3-33H,1-2H3;3-29H,1-2H3;;;.
What are the key properties of tris(carbon dioxide);methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzoate;methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzoate;methyl 4-[3-[N-[9-(4-methylphenyl)carbazol-3-yl]-4-(4-phenylphenyl)anilino]carbazol-9-yl]benzoate?
tris(carbon dioxide);methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzoate;methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzoate;methyl 4-[3-[N-[9-(4-methylphenyl)carbazol-3-yl]-4-(4-phenylphenyl)anilino]carbazol-9-yl]benzoate has a molecular weight of 2303.65 g/mol, XLogP of 37.59, 21 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tris(carbon dioxide);methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzoate;methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzoate;methyl 4-[3-[N-[9-(4-methylphenyl)carbazol-3-yl]-4-(4-phenylphenyl)anilino]carbazol-9-yl]benzoate is sourced from PubChem (CID 159640490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).