3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(2,4,6-trimethylphenyl)carbazole

C100H70N6O — CID 161371248

IUPAC3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(2,4,6-trimethylphenyl)carbazole
SMILESCOc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc32)cc1.Cc1cc(C)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc32)c(C)c1
InChIInChI=1S/C51H37N3.C49H33N3O/c1-32-27-33(2)51(34(3)28-32)54-48-22-11-7-18-42(48)44-30-36(24-26-50(44)54)35-23-25-49-43(29-35)41-17-6-10-21-47(41)53(49)38-14-12-13-37(31-38)52-45-19-8-4-15-39(45)40-16-5-9-20-46(40)52;1-53-37-25-23-34(24-26-37)50-46-19-8-4-15-40(46)42-29-32(21-27-48(42)50)33-22-28-49-43(30-33)41-16-5-9-20-47(41)52(49)36-12-10-11-35(31-36)51-44-17-6-2-13-38(44)39-14-3-7-18-45(39)51/h4-31H,1-3H3;2-31H,1H3
InChIKeyVQMGXINRJJHCSM-UHFFFAOYSA-N
MW1371.70 g/mol
LogP26.22
Rot. Bonds9

About 3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(2,4,6-trimethylphenyl)carbazole

3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(2,4,6-trimethylphenyl)carbazole (PubChem CID 161371248) has the molecular formula C100H70N6O and a molecular weight of 1371.70 g/mol. Its IUPAC name is 3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(2,4,6-trimethylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(2,4,6-trimethylphenyl)carbazole
PubChem CID161371248
Molecular FormulaC100H70N6O
Molecular Weight1371.70 g/mol
Exact Mass1370.56
IUPAC Name3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(2,4,6-trimethylphenyl)carbazole
SMILESCOc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc32)cc1.Cc1cc(C)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc32)c(C)c1
InChIInChI=1S/C51H37N3.C49H33N3O/c1-32-27-33(2)51(34(3)28-32)54-48-22-11-7-18-42(48)44-30-36(24-26-50(44)54)35-23-25-49-43(29-35)41-17-6-10-21-47(41)53(49)38-14-12-13-37(31-38)52-45-19-8-4-15-39(45)40-16-5-9-20-46(40)52;1-53-37-25-23-34(24-26-37)50-46-19-8-4-15-40(46)42-29-32(21-27-48(42)50)33-22-28-49-43(30-33)41-16-5-9-20-47(41)52(49)36-12-10-11-35(31-36)51-44-17-6-2-13-38(44)39-14-3-7-18-45(39)51/h4-31H,1-3H3;2-31H,1H3
InChIKeyVQMGXINRJJHCSM-UHFFFAOYSA-N
XLogP26.22
TPSA38.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001371.70
LogP ≤ 526.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(2,4,6-trimethylphenyl)carbazole with MolForge

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Related Compounds

3-carbazol-9-yl-9-(2,4,5-trimethylphenyl)-6-[3-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazol-9-yl]carbazole
CID 71232676
9-phenyl-3-[9-(9-phenylcarbazol-3-yl)-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-6-(2,4,6-trimethylphenyl)carbazole
CID 71232756
3-[9-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 170315703
9-[4-(4-methoxyphenyl)phenyl]carbazole
CID 58905910
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazole
CID 71232829
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(2,4,6-trimethylphenyl)carbazole
CID 71232544
3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole
CID 118581886
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
2-[3-methoxy-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 122418165
9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole
CID 153162679
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(2,4,6-trimethylphenyl)carbazole?
The IUPAC name of 3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(2,4,6-trimethylphenyl)carbazole (CID 161371248) is 3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(2,4,6-trimethylphenyl)carbazole.
What is the SMILES notation for 3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(2,4,6-trimethylphenyl)carbazole?
The canonical SMILES for 3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(2,4,6-trimethylphenyl)carbazole is COc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc32)cc1.Cc1cc(C)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc32)c(C)c1.
What is the InChIKey of 3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(2,4,6-trimethylphenyl)carbazole?
The InChIKey is VQMGXINRJJHCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N3.C49H33N3O/c1-32-27-33(2)51(34(3)28-32)54-48-22-11-7-18-42(48)44-30-36(24-26-50(44)54)35-23-25-49-43(29-35)41-17-6-10-21-47(41)53(49)38-14-12-13-37(31-38)52-45-19-8-4-15-39(45)40-16-5-9-20-46(40)52;1-53-37-25-23-34(24-26-37)50-46-19-8-4-15-40(46)42-29-32(21-27-48(42)50)33-22-28-49-43(30-33)41-16-5-9-20-47(41)52(49)36-12-10-11-35(31-36)51-44-17-6-2-13-38(44)39-14-3-7-18-45(39)51/h4-31H,1-3H3;2-31H,1H3.
What are the key properties of 3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(2,4,6-trimethylphenyl)carbazole?
3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(2,4,6-trimethylphenyl)carbazole has a molecular weight of 1371.70 g/mol, XLogP of 26.22, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-9-(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 161371248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).