4-[3-[3-[3,5-bis[9-(4-isocyanophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]benzonitrile;3-[3-[3,5-bis[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-9-(4-methoxyphenyl)carbazole

C180H120N12O4 — CID 157385324

IUPAC4-[3-[3-[3,5-bis[9-(4-isocyanophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]benzonitrile;3-[3-[3,5-bis[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-9-(4-methoxyphenyl)carbazole
SMILESCOc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(OC)cc5)c(C)c(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(OC)cc6)cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(OC)cc6)c5C)c4)ccc32)cc1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc([N+]#[C-])cc5)c(C)c(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C#N)cc6)cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C#N)cc6)c5C)c4)ccc32)cc1
InChIInChI=1S/C90H54N8.C90H66N4O4/c1-55-75(61-27-43-89-81(47-61)73-15-7-11-19-85(73)96(89)68-35-23-58(54-92)24-36-68)49-63(59-25-41-87-79(45-59)71-13-5-9-17-83(71)95(87)67-33-21-57(53-91)22-34-67)51-77(55)78-52-64(60-26-42-88-80(46-60)72-14-6-10-18-84(72)97(88)69-37-29-65(93-3)30-38-69)50-76(56(78)2)62-28-44-90-82(48-62)74-16-8-12-20-86(74)98(90)70-39-31-66(94-4)32-40-70;1-55-75(59-25-45-89-81(49-59)73-17-9-13-21-85(73)93(89)65-31-39-69(97-5)40-32-65)51-61(57-23-43-87-79(47-57)71-15-7-11-19-83(71)91(87)63-27-35-67(95-3)36-28-63)53-77(55)78-54-62(58-24-44-88-80(48-58)72-16-8-12-20-84(72)92(88)64-29-37-68(96-4)38-30-64)52-76(56(78)2)60-26-46-90-82(50-60)74-18-10-14-22-86(74)94(90)66-33-41-70(98-6)42-34-66/h5-52H,1-2H3;7-54H,1-6H3
InChIKeyBLJBTKJETXVWBX-UHFFFAOYSA-N
MW2515.02 g/mol
LogP46.93
Rot. Bonds22

About 4-[3-[3-[3,5-bis[9-(4-isocyanophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]benzonitrile;3-[3-[3,5-bis[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-9-(4-methoxyphenyl)carbazole

4-[3-[3-[3,5-bis[9-(4-isocyanophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]benzonitrile;3-[3-[3,5-bis[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-9-(4-methoxyphenyl)carbazole (PubChem CID 157385324) has the molecular formula C180H120N12O4 and a molecular weight of 2515.02 g/mol. Its IUPAC name is 4-[3-[3-[3,5-bis[9-(4-isocyanophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]benzonitrile;3-[3-[3,5-bis[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-9-(4-methoxyphenyl)carbazole.

Molecular Properties

Compound Name4-[3-[3-[3,5-bis[9-(4-isocyanophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]benzonitrile;3-[3-[3,5-bis[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-9-(4-methoxyphenyl)carbazole
PubChem CID157385324
Molecular FormulaC180H120N12O4
Molecular Weight2515.02 g/mol
Exact Mass2512.96
IUPAC Name4-[3-[3-[3,5-bis[9-(4-isocyanophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]benzonitrile;3-[3-[3,5-bis[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-9-(4-methoxyphenyl)carbazole
SMILESCOc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(OC)cc5)c(C)c(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(OC)cc6)cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(OC)cc6)c5C)c4)ccc32)cc1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc([N+]#[C-])cc5)c(C)c(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C#N)cc6)cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C#N)cc6)c5C)c4)ccc32)cc1
InChIInChI=1S/C90H54N8.C90H66N4O4/c1-55-75(61-27-43-89-81(47-61)73-15-7-11-19-85(73)96(89)68-35-23-58(54-92)24-36-68)49-63(59-25-41-87-79(45-59)71-13-5-9-17-83(71)95(87)67-33-21-57(53-91)22-34-67)51-77(55)78-52-64(60-26-42-88-80(46-60)72-14-6-10-18-84(72)97(88)69-37-29-65(93-3)30-38-69)50-76(56(78)2)62-28-44-90-82(48-62)74-16-8-12-20-86(74)98(90)70-39-31-66(94-4)32-40-70;1-55-75(59-25-45-89-81(49-59)73-17-9-13-21-85(73)93(89)65-31-39-69(97-5)40-32-65)51-61(57-23-43-87-79(47-57)71-15-7-11-19-83(71)91(87)63-27-35-67(95-3)36-28-63)53-77(55)78-54-62(58-24-44-88-80(48-58)72-16-8-12-20-84(72)92(88)64-29-37-68(96-4)38-30-64)52-76(56(78)2)60-26-46-90-82(50-60)74-18-10-14-22-86(74)94(90)66-33-41-70(98-6)42-34-66/h5-52H,1-2H3;7-54H,1-6H3
InChIKeyBLJBTKJETXVWBX-UHFFFAOYSA-N
XLogP46.93
TPSA132.66 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms196
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002515.02
LogP ≤ 546.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 4-[3-[3-[3,5-bis[9-(4-isocyanophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]benzonitrile;3-[3-[3,5-bis[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-9-(4-methoxyphenyl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[3,5-bis[9-(4-isocyanophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]benzonitrile;3-[3-[3,5-bis[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-9-(4-methoxyphenyl)carbazole?
The IUPAC name of 4-[3-[3-[3,5-bis[9-(4-isocyanophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]benzonitrile;3-[3-[3,5-bis[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-9-(4-methoxyphenyl)carbazole (CID 157385324) is 4-[3-[3-[3,5-bis[9-(4-isocyanophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]benzonitrile;3-[3-[3,5-bis[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-9-(4-methoxyphenyl)carbazole.
What is the SMILES notation for 4-[3-[3-[3,5-bis[9-(4-isocyanophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]benzonitrile;3-[3-[3,5-bis[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-9-(4-methoxyphenyl)carbazole?
The canonical SMILES for 4-[3-[3-[3,5-bis[9-(4-isocyanophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]benzonitrile;3-[3-[3,5-bis[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-9-(4-methoxyphenyl)carbazole is COc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(OC)cc5)c(C)c(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(OC)cc6)cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(OC)cc6)c5C)c4)ccc32)cc1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc([N+]#[C-])cc5)c(C)c(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C#N)cc6)cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C#N)cc6)c5C)c4)ccc32)cc1.
What is the InChIKey of 4-[3-[3-[3,5-bis[9-(4-isocyanophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]benzonitrile;3-[3-[3,5-bis[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-9-(4-methoxyphenyl)carbazole?
The InChIKey is BLJBTKJETXVWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H54N8.C90H66N4O4/c1-55-75(61-27-43-89-81(47-61)73-15-7-11-19-85(73)96(89)68-35-23-58(54-92)24-36-68)49-63(59-25-41-87-79(45-59)71-13-5-9-17-83(71)95(87)67-33-21-57(53-91)22-34-67)51-77(55)78-52-64(60-26-42-88-80(46-60)72-14-6-10-18-84(72)97(88)69-37-29-65(93-3)30-38-69)50-76(56(78)2)62-28-44-90-82(48-62)74-16-8-12-20-86(74)98(90)70-39-31-66(94-4)32-40-70;1-55-75(59-25-45-89-81(49-59)73-17-9-13-21-85(73)93(89)65-31-39-69(97-5)40-32-65)51-61(57-23-43-87-79(47-57)71-15-7-11-19-83(71)91(87)63-27-35-67(95-3)36-28-63)53-77(55)78-54-62(58-24-44-88-80(48-58)72-16-8-12-20-84(72)92(88)64-29-37-68(96-4)38-30-64)52-76(56(78)2)60-26-46-90-82(50-60)74-18-10-14-22-86(74)94(90)66-33-41-70(98-6)42-34-66/h5-52H,1-2H3;7-54H,1-6H3.
What are the key properties of 4-[3-[3-[3,5-bis[9-(4-isocyanophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]benzonitrile;3-[3-[3,5-bis[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-9-(4-methoxyphenyl)carbazole?
4-[3-[3-[3,5-bis[9-(4-isocyanophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]benzonitrile;3-[3-[3,5-bis[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-9-(4-methoxyphenyl)carbazole has a molecular weight of 2515.02 g/mol, XLogP of 46.93, 22 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[3,5-bis[9-(4-isocyanophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]benzonitrile;3-[3-[3,5-bis[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-methoxyphenyl)carbazol-3-yl]-2-methylphenyl]-9-(4-methoxyphenyl)carbazole is sourced from PubChem (CID 157385324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).