1,2,7,8-tetramethyl-9-[2-[2-(3-pyridin-2-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole

C44H34N4O — CID 171769380

IUPAC1,2,7,8-tetramethyl-9-[2-[2-(3-pyridin-2-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole
SMILESCc1ccc2c3ccc(C)c(C)c3n(-c3ccnc(-n4c5ccccc5c5ccc(Oc6cccc(-c7ccccn7)c6)cc54)c3)c2c1C
InChIInChI=1S/C44H34N4O/c1-27-15-18-37-38-19-16-28(2)30(4)44(38)47(43(37)29(27)3)32-21-23-46-42(25-32)48-40-14-6-5-12-35(40)36-20-17-34(26-41(36)48)49-33-11-9-10-31(24-33)39-13-7-8-22-45-39/h5-26H,1-4H3
InChIKeyJJQNTLPOAUDIII-UHFFFAOYSA-N
MW634.78 g/mol
LogP11.36
Rot. Bonds5

About 1,2,7,8-tetramethyl-9-[2-[2-(3-pyridin-2-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole

1,2,7,8-tetramethyl-9-[2-[2-(3-pyridin-2-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole (PubChem CID 171769380) has the molecular formula C44H34N4O and a molecular weight of 634.78 g/mol. Its IUPAC name is 1,2,7,8-tetramethyl-9-[2-[2-(3-pyridin-2-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole.

Molecular Properties

Compound Name1,2,7,8-tetramethyl-9-[2-[2-(3-pyridin-2-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole
PubChem CID171769380
Molecular FormulaC44H34N4O
Molecular Weight634.78 g/mol
Exact Mass634.27
IUPAC Name1,2,7,8-tetramethyl-9-[2-[2-(3-pyridin-2-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole
SMILESCc1ccc2c3ccc(C)c(C)c3n(-c3ccnc(-n4c5ccccc5c5ccc(Oc6cccc(-c7ccccn7)c6)cc54)c3)c2c1C
InChIInChI=1S/C44H34N4O/c1-27-15-18-37-38-19-16-28(2)30(4)44(38)47(43(37)29(27)3)32-21-23-46-42(25-32)48-40-14-6-5-12-35(40)36-20-17-34(26-41(36)48)49-33-11-9-10-31(24-33)39-13-7-8-22-45-39/h5-26H,1-4H3
InChIKeyJJQNTLPOAUDIII-UHFFFAOYSA-N
XLogP11.36
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.78
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole
CID 140884641
1,8-bis(2-deuteriopropan-2-yl)-2,7-dimethyl-9-[2-[2-[3-methyl-5-(4-methyl-2-pyridinyl)phenoxy]carbazol-9-yl]-4-pyridinyl]carbazole
CID 171769533
2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole
CID 90290347
10-[9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]carbazol-2-yl]oxypyrazolo[1,5-f]phenanthridine
CID 171769293
2-[3-[4-(2,6-dimethyl-4-pyridin-2-ylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153416511
9-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-(3-pyridin-2-ylphenoxy)carbazole
CID 177287913
9-(4-tert-butyl-2-pyridinyl)-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile
CID 155635938
1,8-dimethyl-9-[2-[2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]phenoxy]carbazol-9-yl]-4-pyridinyl]carbazole
CID 171769115
2-[3-[5-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 158912779
[1-(4-carbazol-9-yl-2,6-diphenylphenyl)-3-[3-[9-(4-methyl-5-pyridin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
CID 165167722
1,8-diethyl-9-[2-[2-(3-pyrazol-1-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole
CID 171769151
9-pyridin-2-yl-2-(3-quinolin-2-ylphenoxy)carbazole
CID 161376299

Frequently Asked Questions

What is the IUPAC name of 1,2,7,8-tetramethyl-9-[2-[2-(3-pyridin-2-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole?
The IUPAC name of 1,2,7,8-tetramethyl-9-[2-[2-(3-pyridin-2-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole (CID 171769380) is 1,2,7,8-tetramethyl-9-[2-[2-(3-pyridin-2-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole.
What is the SMILES notation for 1,2,7,8-tetramethyl-9-[2-[2-(3-pyridin-2-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole?
The canonical SMILES for 1,2,7,8-tetramethyl-9-[2-[2-(3-pyridin-2-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole is Cc1ccc2c3ccc(C)c(C)c3n(-c3ccnc(-n4c5ccccc5c5ccc(Oc6cccc(-c7ccccn7)c6)cc54)c3)c2c1C.
What is the InChIKey of 1,2,7,8-tetramethyl-9-[2-[2-(3-pyridin-2-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole?
The InChIKey is JJQNTLPOAUDIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N4O/c1-27-15-18-37-38-19-16-28(2)30(4)44(38)47(43(37)29(27)3)32-21-23-46-42(25-32)48-40-14-6-5-12-35(40)36-20-17-34(26-41(36)48)49-33-11-9-10-31(24-33)39-13-7-8-22-45-39/h5-26H,1-4H3.
What are the key properties of 1,2,7,8-tetramethyl-9-[2-[2-(3-pyridin-2-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole?
1,2,7,8-tetramethyl-9-[2-[2-(3-pyridin-2-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole has a molecular weight of 634.78 g/mol, XLogP of 11.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,7,8-tetramethyl-9-[2-[2-(3-pyridin-2-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole is sourced from PubChem (CID 171769380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).