1,3,6,8-tetrakis[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-9H-carbazole

C56H49N9O4 — CID 141449593

IUPAC1,3,6,8-tetrakis[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-9H-carbazole
SMILESCOc1ccc(Cn2cc(-c3cc(-c4cnn(Cc5ccc(OC)cc5)c4)c4[nH]c5c(-c6cnn(Cc7ccc(OC)cc7)c6)cc(-c6cnn(Cc7ccc(OC)cc7)c6)cc5c4c3)cn2)cc1
InChIInChI=1S/C56H49N9O4/c1-66-47-13-5-37(6-14-47)29-62-33-43(25-57-62)41-21-51(45-27-59-64(35-45)31-39-9-17-49(68-3)18-10-39)55-53(23-41)54-24-42(44-26-58-63(34-44)30-38-7-15-48(67-2)16-8-38)22-52(56(54)61-55)46-28-60-65(36-46)32-40-11-19-50(69-4)20-12-40/h5-28,33-36,61H,29-32H2,1-4H3
InChIKeyPGNIEEHHFOCYNG-UHFFFAOYSA-N
MW912.07 g/mol
LogP11.00
Rot. Bonds16

About 1,3,6,8-tetrakis[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-9H-carbazole

1,3,6,8-tetrakis[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-9H-carbazole (PubChem CID 141449593) has the molecular formula C56H49N9O4 and a molecular weight of 912.07 g/mol. Its IUPAC name is 1,3,6,8-tetrakis[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-9H-carbazole.

Molecular Properties

Compound Name1,3,6,8-tetrakis[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-9H-carbazole
PubChem CID141449593
Molecular FormulaC56H49N9O4
Molecular Weight912.07 g/mol
Exact Mass911.39
IUPAC Name1,3,6,8-tetrakis[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-9H-carbazole
SMILESCOc1ccc(Cn2cc(-c3cc(-c4cnn(Cc5ccc(OC)cc5)c4)c4[nH]c5c(-c6cnn(Cc7ccc(OC)cc7)c6)cc(-c6cnn(Cc7ccc(OC)cc7)c6)cc5c4c3)cn2)cc1
InChIInChI=1S/C56H49N9O4/c1-66-47-13-5-37(6-14-47)29-62-33-43(25-57-62)41-21-51(45-27-59-64(35-45)31-39-9-17-49(68-3)18-10-39)55-53(23-41)54-24-42(44-26-58-63(34-44)30-38-7-15-48(67-2)16-8-38)22-52(56(54)61-55)46-28-60-65(36-46)32-40-11-19-50(69-4)20-12-40/h5-28,33-36,61H,29-32H2,1-4H3
InChIKeyPGNIEEHHFOCYNG-UHFFFAOYSA-N
XLogP11.00
TPSA123.99 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500912.07
LogP ≤ 511.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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Related Compounds

1-[[1-[(4-Methoxyphenyl)methyl]triazol-4-yl]methyl]-3-[[1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]indole
CID 44583472
3-[(4-Methoxyphenyl)-[1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]indole
CID 44583475
3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-methoxyphenyl]methyl]-2-methoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 139225218
3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-ethoxyphenyl]methyl]-2-ethoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 139225220
3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-propan-2-yloxyphenyl]methyl]-2-propan-2-yloxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 139225222
3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 139225224
3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-prop-2-enoxyphenyl]methyl]-2-prop-2-enoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 139225226
1-[3-[3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-1-yl]-5-(3-pyridin-2-ylphenyl)phenyl]-3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazole
CID 87485036
5,10,15,20-Tetrakis[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-21,23-dihydroporphyrin
CID 142756941
N,N-diethyl-2-(5-methoxy-1H-indol-3-yl)ethanamine;N-ethyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propan-2-amine;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylpropan-1-amine;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylpropan-2-amine;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine
CID 157343308
1,2-Dimethyl-5-(5-phenylpyrazol-1-yl)indole;9-ethyl-3-[5-(3-methoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(3-methylphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-phenylpyrazol-1-yl)carbazole
CID 157344830
1-[2-(3,5-Dimethylphenyl)propan-2-yl]indazole;1-[2-(3,5-dimethylphenyl)propan-2-yl]indole;1-[2-(3,5-dimethylphenyl)propan-2-yl]-2-methylindole;1-[2-(3,5-dimethylphenyl)propan-2-yl]pyrazole;ethane;iodobenzene;methane;1-[2-(2-methoxyphenyl)propan-2-yl]indole;toluene
CID 158253736

Frequently Asked Questions

What is the IUPAC name of 1,3,6,8-tetrakis[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-9H-carbazole?
The IUPAC name of 1,3,6,8-tetrakis[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-9H-carbazole (CID 141449593) is 1,3,6,8-tetrakis[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-9H-carbazole.
What is the SMILES notation for 1,3,6,8-tetrakis[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-9H-carbazole?
The canonical SMILES for 1,3,6,8-tetrakis[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-9H-carbazole is COc1ccc(Cn2cc(-c3cc(-c4cnn(Cc5ccc(OC)cc5)c4)c4[nH]c5c(-c6cnn(Cc7ccc(OC)cc7)c6)cc(-c6cnn(Cc7ccc(OC)cc7)c6)cc5c4c3)cn2)cc1.
What is the InChIKey of 1,3,6,8-tetrakis[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-9H-carbazole?
The InChIKey is PGNIEEHHFOCYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H49N9O4/c1-66-47-13-5-37(6-14-47)29-62-33-43(25-57-62)41-21-51(45-27-59-64(35-45)31-39-9-17-49(68-3)18-10-39)55-53(23-41)54-24-42(44-26-58-63(34-44)30-38-7-15-48(67-2)16-8-38)22-52(56(54)61-55)46-28-60-65(36-46)32-40-11-19-50(69-4)20-12-40/h5-28,33-36,61H,29-32H2,1-4H3.
What are the key properties of 1,3,6,8-tetrakis[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-9H-carbazole?
1,3,6,8-tetrakis[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-9H-carbazole has a molecular weight of 912.07 g/mol, XLogP of 11.00, 16 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,8-tetrakis[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-9H-carbazole is sourced from PubChem (CID 141449593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).